data_[Te4Pd2Br16]
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 [12.3951]
_cell_length_b [10.5388]
_cell_length_c [7.4131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2PdBr8]
_chemical_formula_sum '[Te4 Pd2 Br16]'
_cell_volume [892.8435]
_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  4  0.1949  0.5000  0.1375  1
  Pd  Pd1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1368  0.1606  0.9778  1
  Br  Br3  4  0.0185  0.5000  0.2595  1
  Br  Br4  4  0.1634  0.0000  0.5088  1
]