data_Fe2CuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55
_cell_length_b   8.55
_cell_length_c   8.55
_cell_angle_alpha   17.73
_cell_angle_beta   17.73
_cell_angle_gamma   17.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuOs
_chemical_formula_sum   'Fe2 Cu1 Os1'
_cell_volume   50.54
_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  0.21  1.0
  Fe  Fe2  1  0.0  0.0  0.3  1.0
  Cu  Cu0  1  0.0  0.0  0.87  1.0
  Os  Os3  1  0.0  0.0  0.69  1.0

data_Fe2CuOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   2.63
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2CuOs
_chemical_formula_sum   'Fe4 Cu2 Os2'
_cell_volume   101.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.7  1.0
  Fe  Fe1  2  0.0  0.0  0.79  1.0
  Cu  Cu2  2  0.0  0.0  0.13  1.0
  Os  Os3  2  0.0  0.0  0.31  1.0

Fe Fe Cu Os
Fe Fe Cu Os 0 1 o o o 2 3 o o o 