data_Hf2CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   144.52
_cell_angle_beta   130.4
_cell_angle_gamma   62.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrBi
_chemical_formula_sum   'Hf2 Cr1 Bi1'
_cell_volume   80.21
_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  0.0  0.38  0.57  1.0
  Hf  Hf3  1  0.0  0.0  0.38  1.0
  Cr  Cr1  1  0.0  0.0  0.37  1.0
  Bi  Bi0  1  0.0  0.38  0.25  1.0

data_Hf2CrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.77
_cell_length_c   5.68
_cell_angle_alpha   114.8
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrBi
_chemical_formula_sum   'Hf2 Cr1 Bi1'
_cell_volume   80.21
_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  0.43  0.81  0.81  1.0
  Hf  Hf1  1  0.62  0.62  0.62  1.0
  Cr  Cr2  1  0.63  0.63  0.63  1.0
  Bi  Bi3  1  0.75  0.13  0.13  1.0

Hf Hf Cr Bi