data_[Ta12Ru6W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8716]
_cell_length_b [4.5379]
_cell_length_c [9.6393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta6Ru3W]
_chemical_formula_sum '[Ta12 Ru6 W2]'
_cell_volume [331.5895]
_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  2  0.0517  0.7500  0.8990  1
  Ta  Ta1  2  0.1496  0.2500  0.6994  1
  Ta  Ta2  2  0.1522  0.7500  0.1974  1
  Ta  Ta3  2  0.2484  0.7500  0.5001  1
  Ta  Ta4  2  0.3514  0.2500  0.3008  1
  Ta  Ta5  2  0.4516  0.7500  0.1003  1
  Ru  Ru6  2  0.2574  0.2500  0.9979  1
  Ru  Ru7  2  0.3550  0.7500  0.8015  1
  Ru  Ru8  2  0.4492  0.2500  0.6010  1
  W  W9  2  0.0495  0.2500  0.3987  1
]