data_HfSiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiOs
_chemical_formula_sum   'Hf3 Si3 Os3'
_cell_volume   141.98
_cell_formula_units_Z   3
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  0.87  0.0  0.0  1.0
  Hf  Hf1  1  0.38  0.39  0.0  1.0
  Hf  Hf2  1  0.07  0.35  0.0  1.0
  Si  Si6  1  0.32  0.91  0.86  1.0
  Si  Si7  1  0.0  0.83  0.86  1.0
  Si  Si8  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.64  0.0  0.86  1.0
  Os  Os4  1  0.18  0.42  0.86  1.0
  Os  Os5  1  0.5  0.32  0.86  1.0

data_HfSiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiOs
_chemical_formula_sum   'Hf3 Si3 Os3'
_cell_volume   141.98
_cell_formula_units_Z   3
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  0.87  0.0  1.0
  Hf  Hf1  1  0.0  0.38  0.39  1.0
  Hf  Hf2  1  0.0  0.07  0.35  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Si  Si4  1  0.86  0.0  0.83  1.0
  Si  Si5  1  0.86  0.32  0.91  1.0
  Os  Os6  1  0.86  0.18  0.42  1.0
  Os  Os7  1  0.86  0.5  0.32  1.0
  Os  Os8  1  0.86  0.64  0.0  1.0

Hf Hf Hf Si Si Si Os Os Os
Hf Hf Hf Si Si Si Os Os Os 0 5 + o o 0 6 o o - 1 8 o o - 2 7 o o - 3 4 o o o 3 6 o + o 4 5 o + + 