data_[V36Ga18As3]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2430]
_cell_length_b [9.2430]
_cell_length_c [10.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [V12Ga6As]
_chemical_formula_sum '[V36 Ga18 As3]'
_cell_volume [812.4438]
_cell_formula_units_Z [3]
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  18  0.0483  0.1832  0.8058  1
  V  V1  18  0.0612  0.8448  0.4144  1
  Ga  Ga2  18  0.0196  0.4301  0.7104  1
  As  As3  3  0.0000  0.0000  0.0000  1
]