data_[V12Ga4H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.0230]
_cell_length_b [5.7351]
_cell_length_c [4.4259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [V3GaH]
_chemical_formula_sum '[V12 Ga4 H4]'
_cell_volume [228.5775]
_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  4  0.1076  0.1637  0.2395  1.0
  V  V1  4  0.1087  0.6552  0.2333  1.0
  V  V2  4  0.1463  0.9154  0.7377  1.0
  Ga  Ga3  4  0.1508  0.4088  0.7407  1.0
  H  H4  2  0.0000  0.7995  0.5000  1.0
  H  H5  2  0.0000  0.9067  0.0000  1.0
]