data_Hf5Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   7.36
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   33.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Os
_chemical_formula_sum   'Hf5 Os1'
_cell_volume   123.37
_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  0.15  0.0  0.48  1.0
  Hf  Hf1  1  0.15  0.0  0.29  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Hf  Hf3  1  0.21  0.0  0.61  1.0
  Hf  Hf4  1  0.21  0.0  0.42  1.0
  Os  Os5  1  0.72  0.0  0.45  1.0

data_Hf5Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.7
_cell_length_c   7.36
_cell_angle_alpha   109.47
_cell_angle_beta   90.0
_cell_angle_gamma   106.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Os
_chemical_formula_sum   'Hf5 Os1'
_cell_volume   123.37
_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  0.0  1.0
  Hf  Hf1  1  0.0  0.79  0.39  1.0
  Hf  Hf2  1  0.0  0.79  0.58  1.0
  Hf  Hf3  1  0.0  0.85  0.52  1.0
  Hf  Hf4  1  0.0  0.85  0.71  1.0
  Os  Os5  1  0.0  0.28  0.55  1.0

Hf Hf Hf Hf Hf Os