data_Hf2ScOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScOs
_chemical_formula_sum   'Hf2 Sc1 Os1'
_cell_volume   80.55
_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  0.26  0.0  0.2  1.0
  Hf  Hf1  1  0.26  0.0  0.44  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.82  1.0

data_Hf2ScOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2ScOs
_chemical_formula_sum   'Hf2 Sc1 Os1'
_cell_volume   80.59
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.26  0.0  0.2  1.0
  Hf  Hf1  1  0.26  0.0  0.44  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.82  1.0

Hf Hf Sc Os