data_[Ta2V4W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3493]
_cell_length_b [3.1350]
_cell_length_c [9.4831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaV2W3]
_chemical_formula_sum '[Ta2 V4 W6]'
_cell_volume [188.7601]
_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  0.1200  0.7500  0.2510  1.0
  V  V1  2  0.1288  0.7500  0.5804  1.0
  V  V2  2  0.3786  0.2500  0.0807  1.0
  W  W3  2  0.1338  0.7500  0.9202  1.0
  W  W4  2  0.3737  0.2500  0.4193  1.0
  W  W5  2  0.3788  0.2500  0.7513  1.0
]