data_[Tb4Cu4Pb4S12]
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 [Cmcm]
_cell_length_a [3.9320]
_cell_length_b [13.0885]
_cell_length_c [10.3016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbCuPbS3]
_chemical_formula_sum '[Tb4 Cu4 Pb4 S12]'
_cell_volume [530.1647]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.0000  0.4712  0.2500  1.0
  Pb  Pb2  4  0.0000  0.2449  0.7500  1.0
  S  S3  8  0.0000  0.3632  0.0702  1.0
  S  S4  4  0.0000  0.0768  0.2500  1.0
]