data_[Hf2In4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4627]
_cell_length_b [8.5206]
_cell_length_c [12.5838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf(InBr3)2]
_chemical_formula_sum '[Hf2 In4 Br12]'
_cell_volume [655.6745]
_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  0.5000  0.0000  0.5000  1.0
  In  In1  4  0.2254  0.1030  0.7406  1.0
  Br  Br2  4  0.1651  0.1633  0.4584  1.0
  Br  Br3  4  0.2823  0.7375  0.4526  1.0
  Br  Br4  4  0.3428  0.0235  0.2527  1.0
]