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 [P2_1/c]
_cell_length_a [8.4480]
_cell_length_b [4.4432]
_cell_length_c [14.9084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Te2PdBr]
_chemical_formula_sum '[Te8 Pd4 Br4]'
_cell_volume [478.8605]
_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  0.1306  0.1880  0.0915  1
  Te  Te1  4  0.4541  0.6267  0.6299  1
  Pd  Pd2  4  0.3120  0.7104  0.7469  1
  Br  Br3  4  0.1928  0.5989  0.8689  1
]