data_HfTa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Bi
_chemical_formula_sum   'Hf1 Ta2 Bi1'
_cell_volume   83.05
_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  Hf1  1  0.0  0.0  0.89  1.0
  Ta  Ta2  1  0.8  0.8  0.05  1.0
  Ta  Ta3  1  0.0  0.0  0.47  1.0
  Bi  Bi0  1  0.8  0.8  0.15  1.0

data_HfTa2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTa2Bi
_chemical_formula_sum   'Hf2 Ta4 Bi2'
_cell_volume   166.11
_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  0.89  1.0
  Ta  Ta1  2  0.0  0.0  0.47  1.0
  Ta  Ta2  2  0.3  0.5  0.05  1.0
  Bi  Bi3  2  0.3  0.5  0.15  1.0

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