data_[Hf2Cd4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1920]
_cell_length_b [7.5515]
_cell_length_c [6.6927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf(CdBr4)2]
_chemical_formula_sum '[Hf2 Cd4 Br16]'
_cell_volume [865.8854]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  4  0.1554  0.0000  0.4452  1
  Br  Br2  8  0.0556  0.2450  0.2509  1
  Br  Br3  4  0.1361  0.0000  0.8410  1
  Br  Br4  4  0.2045  0.5000  0.6313  1
]