data_HfMnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   135.38
_cell_angle_beta   122.51
_cell_angle_gamma   75.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnBi2
_chemical_formula_sum   'Hf1 Mn1 Bi2'
_cell_volume   93.86
_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  0.0  0.31  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.63  0.29  1.0
  Bi  Bi1  1  0.07  0.0  0.02  1.0

data_HfMnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   5.25
_cell_length_c   5.46
_cell_angle_alpha   118.75
_cell_angle_beta   112.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnBi2
_chemical_formula_sum   'Hf1 Mn1 Bi2'
_cell_volume   93.86
_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  0.69  0.69  0.69  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.05  0.98  0.05  1.0
  Bi  Bi3  1  0.71  0.33  0.33  1.0

Hf Mn Bi Bi