data_[Fe24Mo9W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7216]
_cell_length_b [4.7216]
_cell_length_c [23.1245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Fe8Mo3W]
_chemical_formula_sum '[Fe24 Mo9 W3]'
_cell_volume [446.4555]
_cell_formula_units_Z [3]
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  9  0.0002  0.5001  0.0626  1.0
  Fe  Fe1  9  0.1669  0.3337  0.8957  1.0
  Fe  Fe2  3  0.0000  0.0000  0.3126  1.0
  Fe  Fe3  3  0.0000  0.0000  0.8125  1.0
  Mo  Mo4  3  0.0000  0.0000  0.5000  1.0
  Mo  Mo5  3  0.0000  0.0000  0.6255  1.0
  Mo  Mo6  3  0.0000  0.0000  0.9993  1.0
  W  W7  3  0.0000  0.0000  0.1251  1.0
]