data_[V6Re2W12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.5757]
_cell_length_b [2.6054]
_cell_length_c [11.4825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [V3ReW6]
_chemical_formula_sum '[V6 Re2 W12]'
_cell_volume [314.1806]
_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
[
  V  V0  2  0.0743  0.7500  0.0978  1
  V  V1  2  0.2751  0.7500  0.7025  1
  V  V2  2  0.3808  0.2500  0.5077  1
  Re  Re3  2  0.3190  0.7500  0.1004  1
  W  W4  2  0.0223  0.7500  0.7065  1
  W  W5  2  0.1266  0.2500  0.5104  1
  W  W6  2  0.1713  0.2500  0.9017  1
  W  W7  2  0.2272  0.7500  0.3110  1
  W  W8  2  0.4235  0.2500  0.9008  1
  W  W9  2  0.4763  0.2500  0.2976  1
]