data_[Te2Pd1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0514]
_cell_length_b [7.6936]
_cell_length_c [10.0144]
_cell_angle_alpha [106.6494]
_cell_angle_beta [92.9779]
_cell_angle_gamma [95.2232]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te2PdBr6]
_chemical_formula_sum '[Te2 Pd1 Br6]'
_cell_volume [370.0855]
_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  0.3476  0.7140  0.6911  1.0
  Pd  Pd1  1  0.0000  0.5000  0.5000  1.0
  Br  Br2  2  0.1024  0.9987  0.7204  1.0
  Br  Br3  2  0.2511  0.6650  0.9237  1.0
  Br  Br4  2  0.3230  0.6207  0.3619  1.0
]