data_[V1Ga2H1]
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 [P3m1]
_cell_length_a [2.9896]
_cell_length_b [2.9896]
_cell_length_c [6.6894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [VGa2H]
_chemical_formula_sum '[V1 Ga2 H1]'
_cell_volume [51.7797]
_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  1  0.6667  0.3333  0.6277  1.0
  Ga  Ga1  1  0.0000  0.0000  0.3128  1.0
  Ga  Ga2  1  0.0000  0.0000  0.9402  1.0
  H  H3  1  0.3333  0.6667  0.6193  1.0
]