data_[Te6Pd1Br2]
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 [5.3919]
_cell_length_b [8.1713]
_cell_length_c [8.6652]
_cell_angle_alpha [69.1301]
_cell_angle_beta [84.1605]
_cell_angle_gamma [78.5624]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te6PdBr2]
_chemical_formula_sum '[Te6 Pd1 Br2]'
_cell_volume [349.4461]
_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  0.0231  0.5377  0.7746  1.0
  Te  Te1  2  0.1564  0.7434  0.2722  1.0
  Te  Te2  2  0.2091  0.1942  0.4911  1.0
  Pd  Pd3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  2  0.3273  0.8434  0.8550  1.0
]