data_Fe2OsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.62
_cell_angle_alpha   100.19
_cell_angle_beta   100.19
_cell_angle_gamma   34.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2OsW
_chemical_formula_sum   'Fe2 Os1 W1'
_cell_volume   52.64
_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  0.5  0.0  0.3  1.0
  Fe  Fe1  1  0.27  0.0  0.23  1.0
  Os  Os2  1  0.89  0.0  0.27  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Fe2OsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.52
_cell_length_c   4.62
_cell_angle_alpha   100.19
_cell_angle_beta   90.0
_cell_angle_gamma   107.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2OsW
_chemical_formula_sum   'Fe2 Os1 W1'
_cell_volume   52.64
_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  0.5  0.7  1.0
  Fe  Fe1  1  0.0  0.73  0.77  1.0
  Os  Os2  1  0.0  0.11  0.73  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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