data_FeCuOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   2.62
_cell_angle_alpha   103.46
_cell_angle_beta   103.46
_cell_angle_gamma   117.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuOs2
_chemical_formula_sum   'Fe1 Cu1 Os2'
_cell_volume   54.43
_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
  Cu  Cu0  1  0.65  0.0  0.0  1.0
  Os  Os2  1  0.74  0.19  0.17  1.0
  Os  Os3  1  0.74  0.81  0.17  1.0

data_FeCuOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.74
_cell_length_c   5.13
_cell_angle_alpha   116.74
_cell_angle_beta   103.46
_cell_angle_gamma   92.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuOs2
_chemical_formula_sum   'Fe1 Cu1 Os2'
_cell_volume   54.43
_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
  Cu  Cu1  1  0.0  0.0  0.65  1.0
  Os  Os2  1  0.36  0.19  0.93  1.0
  Os  Os3  1  0.98  0.81  0.54  1.0

Fe Cu Os Os