data_HfNbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   143.75
_cell_angle_beta   125.93
_cell_angle_gamma   66.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbOs2
_chemical_formula_sum   'Hf1 Nb1 Os2'
_cell_volume   66.84
_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  0.0  0.0  0.35  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.37  0.23  1.0
  Os  Os3  1  0.62  0.0  0.12  1.0

data_HfNbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.74
_cell_length_c   5.21
_cell_angle_alpha   117.04
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbOs2
_chemical_formula_sum   'Hf1 Nb1 Os2'
_cell_volume   66.84
_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  0.0  0.35  0.35  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.12  0.5  1.0
  Os  Os3  1  0.63  0.86  0.86  1.0

Hf Nb Os Os