data_[Te2Pd2Br4]
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 [4.0525]
_cell_length_b [6.9291]
_cell_length_c [9.3272]
_cell_angle_alpha [68.7893]
_cell_angle_beta [83.7510]
_cell_angle_gamma [86.4274]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TePdBr2]
_chemical_formula_sum '[Te2 Pd2 Br4]'
_cell_volume [242.6394]
_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  0.1850  0.5069  0.1520  1.0
  Pd  Pd1  2  0.2617  0.2404  0.0120  1.0
  Br  Br2  2  0.2343  0.7013  0.6057  1.0
  Br  Br3  2  0.3181  0.0322  0.8253  1.0
]