data_HfBi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   7.81
_cell_angle_alpha   152.8
_cell_angle_beta   150.6
_cell_angle_gamma   40.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi2As
_chemical_formula_sum   'Hf1 Bi2 As1'
_cell_volume   106.79
_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  Hf3  1  0.0  0.0  0.33  1.0
  Bi  Bi1  1  0.0  0.98  0.67  1.0
  Bi  Bi2  1  0.84  0.0  0.66  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_HfBi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.96
_cell_length_c   7.81
_cell_angle_alpha   104.7
_cell_angle_beta   103.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi2As
_chemical_formula_sum   'Hf1 Bi2 As1'
_cell_volume   106.79
_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  0.67  0.67  0.67  1.0
  Bi  Bi1  1  0.17  0.34  0.17  1.0
  Bi  Bi2  1  0.33  0.32  0.32  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Hf Bi Bi As