data_FeNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.46
_cell_angle_alpha   99.38
_cell_angle_beta   99.38
_cell_angle_gamma   33.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2Os
_chemical_formula_sum   'Fe1 Ni2 Os1'
_cell_volume   48.09
_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
  Fe  Fe0  1  0.18  0.0  0.1  1.0
  Ni  Ni1  1  0.24  0.0  0.4  1.0
  Ni  Ni2  1  0.55  0.0  0.3  1.0
  Os  Os3  1  0.88  0.0  0.2  1.0

data_FeNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.44
_cell_length_c   4.46
_cell_angle_alpha   99.38
_cell_angle_beta   90.0
_cell_angle_gamma   106.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2Os
_chemical_formula_sum   'Fe1 Ni2 Os1'
_cell_volume   48.09
_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
  Fe  Fe0  1  0.0  0.82  0.9  1.0
  Ni  Ni1  1  0.0  0.45  0.7  1.0
  Ni  Ni2  1  0.0  0.76  0.6  1.0
  Os  Os3  1  0.0  0.12  0.8  1.0

Fe Ni Ni Os