data_[Te2Pb2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4370]
_cell_length_b [7.3457]
_cell_length_c [7.4994]
_cell_angle_alpha [78.1285]
_cell_angle_beta [78.1761]
_cell_angle_gamma [89.7724]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TePbS2]
_chemical_formula_sum '[Te2 Pb2 S4]'
_cell_volume [233.9363]
_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
[
  Te  Te0  1  0.3859  0.7458  0.8581  1
  Te  Te1  1  0.8785  0.2447  0.1631  1
  Pb  Pb2  1  0.1924  0.7497  0.3440  1
  Pb  Pb3  1  0.5671  0.2380  0.7069  1
  S  S4  1  0.0086  0.9884  0.9132  1
  S  S5  1  0.0880  0.5502  0.7233  1
  S  S6  1  0.6746  0.9977  0.4426  1
  S  S7  1  0.7048  0.4855  0.3486  1
]