data_[Tb2Cu2Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3300]
_cell_length_b [3.9415]
_cell_length_c [8.6778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbCuPbS3]
_chemical_formula_sum '[Tb2 Cu2 Pb2 S6]'
_cell_volume [277.2396]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
[
  Tb  Tb0  2  0.3277  0.7500  0.8293  1.0
  Cu  Cu1  2  0.0829  0.2500  0.5840  1.0
  Pb  Pb2  2  0.1865  0.2500  0.2337  1.0
  S  S3  2  0.1067  0.2500  0.8617  1.0
  S  S4  2  0.2141  0.7500  0.5093  1.0
  S  S5  2  0.4364  0.7500  0.1615  1.0
]