data_[Ta4Mo14W4]
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 [C2/m]
_cell_length_a [5.3899]
_cell_length_b [9.0362]
_cell_length_c [7.9787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Mo7W2]
_chemical_formula_sum '[Ta4 Mo14 W4]'
_cell_volume [378.2650]
_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  4  0.0000  0.2529  0.5000  1
  Mo  Mo1  8  0.2218  0.2554  0.1615  1
  Mo  Mo2  4  0.1087  0.0000  0.3343  1
  Mo  Mo3  2  0.0000  0.0000  0.0000  1
  W  W4  4  0.1026  0.5000  0.3173  1
]