data_[Mo12W20]
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 [Amm2]
_cell_length_a [6.3559]
_cell_length_b [9.0083]
_cell_length_c [8.9772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mo3W5]
_chemical_formula_sum '[Mo12 W20]'
_cell_volume [513.9987]
_cell_formula_units_Z [4]
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  4  0.2501  0.0000  0.7500  1.0
  Mo  Mo1  4  0.5000  0.2499  0.7500  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5001  1.0
  Mo  Mo3  2  0.5000  0.0000  0.9998  1.0
  W  W4  8  0.2503  0.2500  0.0000  1.0
  W  W5  4  0.0000  0.2496  0.7500  1.0
  W  W6  4  0.2503  0.0000  0.2500  1.0
  W  W7  2  0.0000  0.0000  0.9997  1.0
  W  W8  2  0.5000  0.0000  0.5004  1.0
]