LaCoPb.cif

# generated using pymatgen
data_La18Co28Pb3
_symmetry_space_group_name_H-M   I4/mmm
_cell_length_a   14.02792316
_cell_length_b   14.02792316
_cell_length_c   10.01467766
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   139
_chemical_formula_structural   La18Co28Pb3
_chemical_formula_sum   'La36 Co56 Pb6'
_cell_volume   1970.71459130
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'x+1/2, y+1/2, z+1/2'
  18  '-x+1/2, -y+1/2, -z+1/2'
  19  '-y+1/2, x+1/2, z+1/2'
  20  'y+1/2, -x+1/2, -z+1/2'
  21  '-x+1/2, -y+1/2, z+1/2'
  22  'x+1/2, y+1/2, -z+1/2'
  23  'y+1/2, -x+1/2, z+1/2'
  24  '-y+1/2, x+1/2, -z+1/2'
  25  'x+1/2, -y+1/2, -z+1/2'
  26  '-x+1/2, y+1/2, z+1/2'
  27  '-y+1/2, -x+1/2, -z+1/2'
  28  'y+1/2, x+1/2, z+1/2'
  29  '-x+1/2, y+1/2, -z+1/2'
  30  'x+1/2, -y+1/2, z+1/2'
  31  'y+1/2, x+1/2, -z+1/2'
  32  '-y+1/2, -x+1/2, z+1/2'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La0  16  0.16418905  0.16418905  0.26307346  1
  La  La1  8  0.00000000  0.23454447  0.00000000  1
  La  La2  8  0.00000000  0.25135079  0.50000000  1
  La  La3  4  0.00000000  0.50000000  0.00000000  1
  Co  Co4  32  0.14515856  0.34990025  0.12645280  1
  Co  Co5  16  0.00000000  0.37071565  0.25003198  1
  Co  Co6  8  0.24327103  0.24327103  0.00000000  1
  Pb  Pb7  4  0.00000000  0.00000000  0.15876483  1
  Pb  Pb8  2  0.00000000  0.00000000  0.50000000  1