data_HfOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   4.3
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfOs2
_chemical_formula_sum   'Hf4 Os8'
_cell_volume   195.73
_cell_formula_units_Z   4
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  0.9  0.07  0.41  1.0
  Hf  Hf1  1  0.85  0.22  0.27  1.0
  Hf  Hf2  1  0.65  0.07  0.01  1.0
  Hf  Hf3  1  0.6  0.22  0.87  1.0
  Os  Os4  1  0.34  0.07  0.01  1.0
  Os  Os5  1  0.86  0.07  0.67  1.0
  Os  Os6  1  0.89  0.22  0.53  1.0
  Os  Os7  1  0.41  0.22  0.16  1.0
  Os  Os8  1  0.09  0.07  0.13  1.0
  Os  Os9  1  0.61  0.07  0.75  1.0
  Os  Os10  1  0.64  0.22  0.61  1.0
  Os  Os11  1  0.16  0.22  0.27  1.0

data_HfOs2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.3
_cell_length_b   5.5
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfOs2
_chemical_formula_sum   'Hf4 Os8'
_cell_volume   195.73
_cell_formula_units_Z   4
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  0.43  0.15  0.77  1.0
  Hf  Hf1  2  0.43  0.9  0.37  1.0
  Os  Os2  2  0.43  0.11  0.03  1.0
  Os  Os3  2  0.43  0.34  0.49  1.0
  Os  Os4  2  0.43  0.59  0.37  1.0
  Os  Os5  2  0.43  0.86  0.11  1.0

Hf Hf Hf Hf Os Os Os Os Os Os Os Os
Hf Hf Hf Hf Os Os Os Os Os Os Os Os 0 1 o o o 0 6 o o o 1 11 + o o 2 3 o o - 2 4 o o o 3 9 o o o 4 8 o o o 4 7 o o o 5 10 o o o 5 9 o o o 5 6 o o o 6 10 o o o 7 11 o o o 8 11 o o o 9 10 o o o 