data_[Mo5W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1811]
_cell_length_b [4.4807]
_cell_length_c [8.9569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mo5W3]
_chemical_formula_sum '[Mo5 W3]'
_cell_volume [127.6670]
_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
[
  Mo  Mo0  1  0.0000  0.0000  0.0006  1
  Mo  Mo1  1  0.0000  0.0000  0.4995  1
  Mo  Mo2  1  0.0000  0.5000  0.2498  1
  Mo  Mo3  1  0.5000  0.0000  0.2496  1
  Mo  Mo4  1  0.5000  0.5000  0.0005  1
  W  W5  1  0.0000  0.5000  0.7504  1
  W  W6  1  0.5000  0.0000  0.7503  1
  W  W7  1  0.5000  0.5000  0.4993  1
]