data_[Te2Pb1Br1]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6099]
_cell_length_b [4.2542]
_cell_length_c [7.8025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Te2PbBr]
_chemical_formula_sum '[Te2 Pb1 Br1]'
_cell_volume [153.0160]
_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  0.4195  0.5000  0.0838  1.0
  Te  Te1  1  0.9245  0.0000  0.0719  1.0
  Pb  Pb2  1  0.7690  0.5000  0.7497  1.0
  Br  Br3  1  0.3869  0.0000  0.5945  1.0
]