data_Hf2BiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiOs
_chemical_formula_sum   'Hf2 Bi1 Os1'
_cell_volume   86.28
_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  0.82  1.0
  Hf  Hf2  1  0.3  0.0  0.71  1.0
  Bi  Bi0  1  0.3  0.0  0.26  1.0
  Os  Os3  1  0.0  0.0  0.25  1.0

data_Hf2BiOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2BiOs
_chemical_formula_sum   'Hf2 Bi1 Os1'
_cell_volume   86.29
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.82  1.0
  Hf  Hf1  1  0.3  0.0  0.71  1.0
  Bi  Bi2  1  0.3  0.0  0.26  1.0
  Os  Os3  1  0.0  0.0  0.25  1.0

Hf Hf Bi Os
Hf Hf Bi Os 0 1 o o o 2 3 o o o 