data_HfOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfOs2
_chemical_formula_sum   'Hf4 Os8'
_cell_volume   200.96
_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  0.0  0.01  0.57  1.0
  Hf  Hf1  1  0.0  0.01  0.71  1.0
  Hf  Hf2  1  0.6  0.5  0.86  1.0
  Hf  Hf3  1  0.6  0.5  0.99  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0
  Os  Os5  1  0.0  0.0  0.28  1.0
  Os  Os6  1  0.0  0.56  0.42  1.0
  Os  Os7  1  0.75  0.73  0.42  1.0
  Os  Os8  1  0.35  0.78  0.14  1.0
  Os  Os9  1  0.25  0.73  0.42  1.0
  Os  Os10  1  0.86  0.78  0.14  1.0
  Os  Os11  1  0.6  0.95  0.14  1.0

data_HfOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfOs2
_chemical_formula_sum   'Hf4 Os8'
_cell_volume   200.96
_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  0.0  0.01  0.57  1.0
  Hf  Hf1  1  0.0  0.01  0.71  1.0
  Hf  Hf2  1  0.6  0.5  0.86  1.0
  Hf  Hf3  1  0.6  0.5  0.99  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0
  Os  Os5  1  0.0  0.0  0.28  1.0
  Os  Os6  1  0.0  0.56  0.42  1.0
  Os  Os7  1  0.25  0.73  0.42  1.0
  Os  Os8  1  0.35  0.78  0.14  1.0
  Os  Os9  1  0.6  0.95  0.14  1.0
  Os  Os10  1  0.75  0.73  0.42  1.0
  Os  Os11  1  0.86  0.78  0.14  1.0

Hf Hf Hf Hf Os Os Os Os Os Os Os Os