data_[Te2Pt1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0942]
_cell_length_b [7.6634]
_cell_length_c [10.0017]
_cell_angle_alpha [106.5940]
_cell_angle_beta [92.8048]
_cell_angle_gamma [96.1222]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te2PtBr6]
_chemical_formula_sum '[Te2 Pt1 Br6]'
_cell_volume [370.7645]
_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  2  0.3447  0.7170  0.6904  1.0
  Pt  Pt1  1  0.0000  0.5000  0.5000  1.0
  Br  Br2  2  0.1084  0.0043  0.7239  1.0
  Br  Br3  2  0.2494  0.6648  0.9222  1.0
  Br  Br4  2  0.3149  0.6122  0.3548  1.0
]