data_[Te8Pd4Br4]
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 [Pnma]
_cell_length_a [8.9911]
_cell_length_b [4.0865]
_cell_length_c [13.2579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Te2PdBr]
_chemical_formula_sum '[Te8 Pd4 Br4]'
_cell_volume [487.1221]
_cell_formula_units_Z [4]
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  4  0.1495  0.7500  0.7811  1.0
  Te  Te1  4  0.1505  0.2500  0.0671  1.0
  Pd  Pd2  4  0.0190  0.2500  0.8747  1.0
  Br  Br3  4  0.0876  0.2500  0.3816  1.0
]