data_[Te8Pd8Br4]
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 [C2/m]
_cell_length_a [12.4631]
_cell_length_b [5.5653]
_cell_length_c [8.0088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2Pd2Br]
_chemical_formula_sum '[Te8 Pd8 Br4]'
_cell_volume [520.6200]
_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  0.0087  0.0000  0.2897  1.0
  Te  Te1  4  0.1593  0.5000  0.5666  1.0
  Pd  Pd2  4  0.0079  0.5000  0.7477  1.0
  Pd  Pd3  4  0.1737  0.0000  0.6025  1.0
  Br  Br4  4  0.1551  0.5000  0.0856  1.0
]