data_[V18Cr8Ga22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [12.4704]
_cell_length_b [20.3527]
_cell_length_c [2.6345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [V9Cr4Ga11]
_chemical_formula_sum '[V18 Cr8 Ga22]'
_cell_volume [668.6656]
_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  8  0.0988  0.2805  0.5000  1
  V  V1  8  0.1320  0.0775  0.5000  1
  V  V2  2  0.0000  0.5000  0.5000  1
  Cr  Cr3  8  0.1757  0.3944  0.5000  1
  Ga  Ga4  8  0.2106  0.1876  0.0000  1
  Ga  Ga5  4  0.0000  0.1705  0.0000  1
  Ga  Ga6  4  0.0000  0.3811  0.0000  1
  Ga  Ga7  4  0.2131  0.5000  0.0000  1
  Ga  Ga8  2  0.0000  0.0000  0.0000  1
]