data_[V28Re4W12]
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 [Cmcm]
_cell_length_a [2.6415]
_cell_length_b [18.5930]
_cell_length_c [13.4833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [V7ReW3]
_chemical_formula_sum '[V28 Re4 W12]'
_cell_volume [662.2196]
_cell_formula_units_Z [4]
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  8  0.0000  0.2552  0.0825  1
  V  V1  8  0.0000  0.3807  0.1505  1
  V  V2  8  0.0000  0.4993  0.0869  1
  V  V3  4  0.0000  0.3674  0.7500  1
  Re  Re4  4  0.0000  0.0030  0.2500  1
  W  W5  8  0.0000  0.1222  0.0382  1
  W  W6  4  0.0000  0.2312  0.7500  1
]