data_[V6Ga2H2]
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 [P2_1]
_cell_length_a [4.9441]
_cell_length_b [4.4072]
_cell_length_c [5.3500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [V3GaH]
_chemical_formula_sum '[V6 Ga2 H2]'
_cell_volume [115.6799]
_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
[
  V  V0  2  0.1230  0.4384  0.9523  1.0
  V  V1  2  0.1598  0.4432  0.4436  1.0
  V  V2  2  0.3784  0.9335  0.2963  1.0
  Ga  Ga3  2  0.3560  0.9388  0.7871  1.0
  H  H4  2  0.0556  0.0745  0.3355  1.0
]