data_[Ta16Mo4W6]
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 [Cmmm]
_cell_length_a [8.9099]
_cell_length_b [12.7052]
_cell_length_c [4.4825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ta8Mo2W3]
_chemical_formula_sum '[Ta16 Mo4 W6]'
_cell_volume [507.4222]
_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  0.2429  0.3747  0.5000  1
  Ta  Ta1  4  0.0000  0.1287  0.0000  1
  Ta  Ta2  4  0.0000  0.3772  0.0000  1
  Mo  Mo3  4  0.0000  0.2504  0.5000  1
  W  W4  4  0.2467  0.5000  0.0000  1
  W  W5  2  0.0000  0.0000  0.5000  1
]