data_HfSiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   145.89
_cell_angle_beta   125.41
_cell_angle_gamma   65.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiOs2
_chemical_formula_sum   'Hf1 Si1 Os2'
_cell_volume   61.41
_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  0.32  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.51  0.0  0.92  1.0
  Os  Os2  1  0.0  0.36  0.39  1.0

data_HfSiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.72
_cell_length_c   5.14
_cell_angle_alpha   117.29
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiOs2
_chemical_formula_sum   'Hf1 Si1 Os2'
_cell_volume   61.41
_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  0.68  0.68  0.68  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.59  0.08  0.59  1.0
  Os  Os3  1  0.61  0.97  0.97  1.0

Hf Si Os Os