data_HfFe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   143.85
_cell_angle_beta   130.16
_cell_angle_gamma   63.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Os
_chemical_formula_sum   'Hf1 Fe2 Os1'
_cell_volume   59.31
_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  Hf2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.15  0.09  1.0
  Fe  Fe1  1  0.58  0.0  0.26  1.0
  Os  Os3  1  0.0  0.0  0.35  1.0

data_HfFe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.3
_cell_length_c   5.11
_cell_angle_alpha   114.92
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Os
_chemical_formula_sum   'Hf1 Fe2 Os1'
_cell_volume   59.31
_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  0.0  1.0
  Fe  Fe1  1  0.33  0.74  0.33  1.0
  Fe  Fe2  1  0.91  0.06  0.06  1.0
  Os  Os3  1  0.65  0.65  0.65  1.0

Hf Fe Fe Os