data_Hf2NbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.57
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   104.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbOs
_chemical_formula_sum   'Hf2 Nb1 Os1'
_cell_volume   74.52
_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  0.76  0.0  0.25  1.0
  Hf  Hf1  1  0.9  0.28  0.37  1.0
  Nb  Nb2  1  0.71  0.0  0.74  1.0
  Os  Os3  1  0.77  0.28  0.99  1.0

data_Hf2NbOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.57
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   104.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbOs
_chemical_formula_sum   'Hf2 Nb1 Os1'
_cell_volume   74.52
_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  0.76  0.0  0.25  1.0
  Hf  Hf1  1  0.9  0.28  0.37  1.0
  Nb  Nb2  1  0.71  0.0  0.74  1.0
  Os  Os3  1  0.77  0.28  0.99  1.0

Hf Hf Nb Os
Hf Hf Nb Os 0 1 o o o 0 3 o o - 1 3 o o - 2 3 o o o 