data_[Te1Pb2Se1]
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 [Pmm2]
_cell_length_a [4.5337]
_cell_length_b [6.3309]
_cell_length_c [4.6114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TePb2Se]
_chemical_formula_sum '[Te1 Pb2 Se1]'
_cell_volume [132.3591]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.1451  1.0
  Pb  Pb1  1  0.0000  0.5000  0.6326  1.0
  Pb  Pb2  1  0.5000  0.0000  0.0769  1.0
  Se  Se3  1  0.0000  0.0000  0.6453  1.0
]