data_HfCuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   5.99
_cell_length_c   3.38
_cell_angle_alpha   76.55
_cell_angle_beta   71.15
_cell_angle_gamma   32.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuBi
_chemical_formula_sum   'Hf1 Cu1 Bi1'
_cell_volume   62.92
_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  0.17  0.59  0.49  1.0
  Cu  Cu1  1  0.17  0.59  0.56  1.0
  Bi  Bi0  1  0.17  0.59  0.12  1.0

data_HfCuBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   11.17
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   129.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCuBi
_chemical_formula_sum   'Hf2 Cu2 Bi2'
_cell_volume   125.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.17  0.0  0.66  1.0
  Cu  Cu1  2  0.17  0.0  0.73  1.0
  Bi  Bi2  2  0.17  0.0  0.29  1.0

Hf Cu Bi
Hf Cu Bi 0 1 o o o 0 2 o o o 1 2 o o o 