data_HfOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   7.67
_cell_length_c   4.37
_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   'Hf2 Os4'
_cell_volume   95.9
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.43  0.84  0.18  1.0
  Os  Os2  1  0.53  0.6  0.0  1.0
  Os  Os3  1  0.9  0.43  0.18  1.0
  Os  Os4  1  0.96  0.24  0.18  1.0
  Os  Os5  1  0.33  0.08  0.0  1.0

data_HfOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.37
_cell_length_c   7.67
_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   'Hf2 Os4'
_cell_volume   95.9
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.57  0.82  0.16  1.0
  Os  Os2  1  0.04  0.82  0.76  1.0
  Os  Os3  1  0.1  0.82  0.57  1.0
  Os  Os4  1  0.47  0.0  0.4  1.0
  Os  Os5  1  0.67  0.0  0.92  1.0

Hf Hf Os Os Os Os
Hf Hf Os Os Os Os 0 5 o o o 0 1 o - o 0 1 - - o 1 5 o + o 1 2 o o o 2 3 o o o 3 4 o o o 