data_[Ta2Cd2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1002]
_cell_length_b [3.2166]
_cell_length_c [7.6846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaCdBr2]
_chemical_formula_sum '[Ta2 Cd2 Br4]'
_cell_volume [252.4950]
_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
[
  Ta  Ta0  2  0.2981  0.0000  0.6250  1
  Cd  Cd1  2  0.0633  0.5000  0.6250  1
  Br  Br2  2  0.2400  0.5000  0.3322  1
  Br  Br3  2  0.3986  0.5000  0.9178  1
]