data_[Al2V8Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.6481]
_cell_length_b [5.2657]
_cell_length_c [5.0195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AlV4Ga3]
_chemical_formula_sum '[Al2 V8 Ga6]'
_cell_volume [228.5814]
_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
[
  Al  Al0  2  0.0000  0.3692  0.9128  1.0
  V  V1  4  0.2496  0.3617  0.2207  1.0
  V  V2  2  0.0000  0.1332  0.4070  1.0
  V  V3  2  0.0000  0.8641  0.9095  1.0
  Ga  Ga4  4  0.2492  0.1339  0.7139  1.0
  Ga  Ga5  2  0.0000  0.6276  0.4170  1.0
]