data_HfIn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   4.99
_cell_angle_alpha   106.39
_cell_angle_beta   106.39
_cell_angle_gamma   35.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Os
_chemical_formula_sum   'Hf1 In2 Os1'
_cell_volume   80.78
_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  0.65  0.0  0.35  1.0
  In  In1  1  0.06  0.0  0.0  1.0
  In  In2  1  0.28  0.0  0.52  1.0
  Os  Os3  1  0.32  0.0  0.27  1.0

data_HfIn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.99
_cell_length_c   5.43
_cell_angle_alpha   106.39
_cell_angle_beta   107.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Os
_chemical_formula_sum   'Hf1 In2 Os1'
_cell_volume   80.78
_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  0.35  0.65  1.0
  In  In1  1  0.0  0.0  0.06  1.0
  In  In2  1  0.0  0.52  0.28  1.0
  Os  Os3  1  0.0  0.27  0.32  1.0

Hf In In Os
Hf In In Os 0 3 o o o 1 3 o o o 2 3 o o o 