data_HfOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   145.46
_cell_angle_beta   132.08
_cell_angle_gamma   60.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfOs
_chemical_formula_sum   'Hf2 Os2'
_cell_volume   69.66
_cell_formula_units_Z   2
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  0.64  0.88  0.66  1.0
  Hf  Hf1  1  0.0  0.36  0.11  1.0
  Os  Os2  1  0.64  0.12  0.2  1.0
  Os  Os3  1  0.0  0.12  0.57  1.0

data_HfOs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.27
_cell_length_b   4.47
_cell_length_c   5.51
_cell_angle_alpha   113.96
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfOs
_chemical_formula_sum   'Hf2 Os2'
_cell_volume   69.66
_cell_formula_units_Z   2
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  2  0.26  0.49  0.31  1.0
  Os  Os1  2  0.5  0.82  1.0  1.0

Hf Hf Os Os