data_FeNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   2.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2Os
_chemical_formula_sum   'Fe1 Ni2 Os1'
_cell_volume   46.7
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.24  0.83  0.28  1.0
  Ni  Ni2  1  0.24  0.17  0.28  1.0
  Os  Os3  1  0.49  0.0  0.0  1.0

data_FeNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   111.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2Os
_chemical_formula_sum   'Fe1 Ni2 Os1'
_cell_volume   46.7
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.28  0.24  0.17  1.0
  Ni  Ni2  1  0.28  0.24  0.83  1.0
  Os  Os3  1  -0.0  0.49  0.0  1.0

Fe Ni Ni Os
Fe Ni Ni Os 0 2 o o o 1 2 o + o 1 3 o + o 