data_[Te4Pb2Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2298]
_cell_length_b [4.2920]
_cell_length_c [14.2880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te2PbSe]
_chemical_formula_sum '[Te4 Pb2 Se2]'
_cell_volume [257.8841]
_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  0.0535  0.7500  0.1157  1.0
  Te  Te1  2  0.4181  0.7500  0.8375  1.0
  Pb  Pb2  2  0.1971  0.2500  0.3863  1.0
  Se  Se3  2  0.2906  0.2500  0.5909  1.0
]