data_[Te2Pb2S4Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9864]
_cell_length_b [4.4919]
_cell_length_c [10.8895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TePbS2Cl]
_chemical_formula_sum '[Te2 Pb2 S4 Cl2]'
_cell_volume [385.8222]
_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  0.4477  0.7500  0.6512  1.0
  Pb  Pb1  2  0.2487  0.7500  0.0296  1.0
  S  S2  2  0.4103  0.7500  0.3659  1.0
  S  S3  2  0.4841  0.2500  0.1226  1.0
  Cl  Cl4  2  0.0974  0.2500  0.8746  1.0
]