data_[Te2Pb4S10]
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 [Cm]
_cell_length_a [8.8609]
_cell_length_b [11.3269]
_cell_length_c [6.4264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.9242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TePb2S5]
_chemical_formula_sum '[Te2 Pb4 S10]'
_cell_volume [501.7871]
_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  2  0.4937  0.5000  0.9958  1.0
  Pb  Pb1  4  0.0784  0.2681  0.6655  1.0
  S  S2  4  0.4890  0.2664  0.0034  1.0
  S  S3  2  0.1190  0.0000  0.6534  1.0
  S  S4  2  0.2125  0.5000  0.9552  1.0
  S  S5  2  0.2633  0.0000  0.5036  1.0
]