data_Hf2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75
_cell_length_b   8.75
_cell_length_c   8.75
_cell_angle_alpha   20.31
_cell_angle_beta   20.31
_cell_angle_gamma   20.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiOs
_chemical_formula_sum   'Hf2 Ni1 Os1'
_cell_volume   70.71
_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  0.23  1.0
  Hf  Hf1  1  0.0  0.0  0.16  1.0
  Ni  Ni2  1  0.0  0.0  0.78  1.0
  Os  Os3  1  0.0  0.0  0.39  1.0

data_Hf2NiOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   101.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2NiOs
_chemical_formula_sum   'Hf4 Ni2 Os2'
_cell_volume   141.43
_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  0.77  1.0
  Hf  Hf1  2  0.0  0.0  0.84  1.0
  Ni  Ni2  2  0.0  0.0  0.22  1.0
  Os  Os3  2  0.0  0.0  0.61  1.0

Hf Hf Ni Os