data_[V24Ga4B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.9275]
_cell_length_b [7.5374]
_cell_length_c [8.1376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [V6GaB2]
_chemical_formula_sum '[V24 Ga4 B8]'
_cell_volume [424.9111]
_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  0.2278  0.2472  1.0
  V  V1  8  0.2028  0.5000  0.1850  1.0
  V  V2  8  0.2091  0.7024  0.5000  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga4  2  0.0000  0.0000  0.5000  1.0
  B  B5  4  0.0000  0.3777  0.0000  1.0
  B  B6  4  0.0000  0.5000  0.3924  1.0
]