data_[V6Ga1H1]
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 [P-1]
_cell_length_a [4.3635]
_cell_length_b [4.9204]
_cell_length_c [4.9707]
_cell_angle_alpha [95.9373]
_cell_angle_beta [111.6903]
_cell_angle_gamma [91.4919]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V6GaH]
_chemical_formula_sum '[V6 Ga1 H1]'
_cell_volume [98.3949]
_cell_formula_units_Z [1]
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  2  0.0692  0.7956  0.6443  1.0
  V  V1  2  0.2129  0.3531  0.9200  1.0
  V  V2  2  0.3881  0.9303  0.2220  1.0
  Ga  Ga3  1  0.5000  0.5000  0.5000  1.0
  H  H4  1  0.0000  0.0000  0.0000  1.0
]