data_FeCoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoOs2
_chemical_formula_sum   'Fe1 Co1 Os2'
_cell_volume   49.87
_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  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.61  0.0  0.0  1.0
  Os  Os2  1  0.31  0.82  0.31  1.0
  Os  Os3  1  0.31  0.18  0.31  1.0

data_FeCoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   108.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoOs2
_chemical_formula_sum   'Fe1 Co1 Os2'
_cell_volume   49.87
_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
  Co  Co1  1  0.0  0.61  0.0  1.0
  Os  Os2  1  0.31  0.31  0.18  1.0
  Os  Os3  1  0.31  0.31  0.82  1.0

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