data_[Ta12Mo10W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5733]
_cell_length_b [6.4783]
_cell_length_c [13.6884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta6Mo5W]
_chemical_formula_sum '[Ta12 Mo10 W2]'
_cell_volume [405.5537]
_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
[
  Ta  Ta0  8  0.0000  0.2505  0.1670  1
  Ta  Ta1  4  0.0000  0.2489  0.5000  1
  Mo  Mo2  4  0.0000  0.0000  0.3331  1
  Mo  Mo3  4  0.0000  0.5000  0.3340  1
  Mo  Mo4  2  0.0000  0.5000  0.0000  1
  W  W5  2  0.0000  0.0000  0.0000  1
]