data_HfCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   21.05
_cell_angle_beta   21.05
_cell_angle_gamma   21.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoBi2
_chemical_formula_sum   'Hf1 Co1 Bi2'
_cell_volume   87.36
_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  0.46  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.83  1.0
  Bi  Bi1  1  0.0  0.0  0.08  1.0

data_HfCoBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.81
_cell_length_b   3.35
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   102.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCoBi2
_chemical_formula_sum   'Hf2 Co2 Bi4'
_cell_volume   174.72
_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  0.0  0.0  0.54  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.17  1.0
  Bi  Bi3  2  0.0  0.0  0.92  1.0

Hf Co Bi Bi
Hf Co Bi Bi 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o - 