data_FeReOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReOs2
_chemical_formula_sum   'Fe1 Re1 Os2'
_cell_volume   55.11
_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
  Re  Re3  1  0.69  0.0  0.0  1.0
  Os  Os1  1  0.35  0.89  0.36  1.0
  Os  Os2  1  0.35  0.11  0.36  1.0

data_FeReOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   109.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReOs2
_chemical_formula_sum   'Fe1 Re1 Os2'
_cell_volume   55.11
_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
  Re  Re1  1  -0.0  0.69  0.0  1.0
  Os  Os2  1  0.36  0.35  0.89  1.0
  Os  Os3  1  0.36  0.35  0.11  1.0

Fe Re Os Os
Fe Re Os Os 0 1 - o o 2 3 o + o 