data_[Nb2Mo2W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6128]
_cell_length_b [4.5417]
_cell_length_c [5.5327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbMoW4]
_chemical_formula_sum '[Nb2 Mo2 W8]'
_cell_volume [197.5312]
_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
[
  Nb  Nb0  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo1  2  0.0000  0.0000  0.0000  1.0
  W  W2  4  0.1648  0.5000  0.9977  1.0
  W  W3  4  0.1685  0.5000  0.5017  1.0
]