data_[Tm4Cu4Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [Cmc2_1]
_cell_length_a [3.9216]
_cell_length_b [13.1361]
_cell_length_c [10.1393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TmCuPbS3]
_chemical_formula_sum '[Tm4 Cu4 Pb4 S12]'
_cell_volume [522.3240]
_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
[
  Tm  Tm0  4  0.0000  0.0035  0.4989  1
  Cu  Cu1  4  0.0000  0.4669  0.7486  1
  Pb  Pb2  4  0.0000  0.2509  0.2207  1
  S  S3  4  0.0000  0.0726  0.7509  1
  S  S4  4  0.0000  0.3639  0.9373  1
  S  S5  4  0.0000  0.3648  0.5622  1
]