data_[V12Sn3W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.9286]
_cell_length_b [4.9462]
_cell_length_c [9.8660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [V12Sn3W]
_chemical_formula_sum '[V12 Sn3 W1]'
_cell_volume [240.5110]
_cell_formula_units_Z [1]
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  4  0.0000  0.2410  0.2583  1
  V  V1  2  0.2400  0.5000  0.5000  1
  V  V2  2  0.2503  0.5000  0.0000  1
  V  V3  2  0.5000  0.0000  0.1273  1
  V  V4  2  0.5000  0.0000  0.3819  1
  Sn  Sn5  2  0.5000  0.5000  0.2506  1
  Sn  Sn6  1  0.0000  0.0000  0.0000  1
  W  W7  1  0.0000  0.0000  0.5000  1
]