data_[Mo26W6]
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 [6.3441]
_cell_length_b [8.9607]
_cell_length_c [8.9811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mo13W3]
_chemical_formula_sum '[Mo26 W6]'
_cell_volume [510.5520]
_cell_formula_units_Z [2]
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  8  0.2501  0.2499  0.2500  1.0
  Mo  Mo1  4  0.0000  0.2498  0.5000  1.0
  Mo  Mo2  4  0.2499  0.0000  0.4999  1.0
  Mo  Mo3  4  0.5000  0.2498  0.5000  1.0
  Mo  Mo4  2  0.0000  0.0000  0.2503  1.0
  Mo  Mo5  2  0.5000  0.0000  0.2501  1.0
  Mo  Mo6  2  0.5000  0.0000  0.7498  1.0
  W  W7  4  0.2502  0.0000  0.0003  1.0
  W  W8  2  0.0000  0.0000  0.7495  1.0
]