data_Hf2BiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   6.45
_cell_angle_alpha   99.3
_cell_angle_beta   99.3
_cell_angle_gamma   39.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiBr
_chemical_formula_sum   'Hf2 Bi1 Br1'
_cell_volume   94.73
_cell_formula_units_Z   1
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  Hf2  1  0.57  0.0  0.31  1.0
  Hf  Hf3  1  0.38  0.0  0.05  1.0
  Bi  Bi0  1  0.97  0.0  0.18  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_Hf2BiBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.82
_cell_length_c   6.45
_cell_angle_alpha   99.3
_cell_angle_beta   90.0
_cell_angle_gamma   109.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiBr
_chemical_formula_sum   'Hf2 Bi1 Br1'
_cell_volume   94.73
_cell_formula_units_Z   1
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  1  0.0  0.43  0.69  1.0
  Hf  Hf1  1  0.0  0.62  0.95  1.0
  Bi  Bi2  1  0.0  0.03  0.82  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Hf Hf Bi Br