# generated using pymatgen
data_Nb2GaH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21744652
_cell_length_b   5.21744723
_cell_length_c   5.21744641
_cell_angle_alpha   105.54093451
_cell_angle_beta   105.54092554
_cell_angle_gamma   117.65499387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GaH
_chemical_formula_sum   'Nb4 Ga2 H2'
_cell_volume   107.63826966
_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
  Nb  Nb0  1  0.16200685  0.66200685  0.82401370  1.0
  Nb  Nb1  1  0.83799315  0.33799315  0.17598630  1.0
  Nb  Nb2  1  0.33799315  0.16200685  0.50000000  1.0
  Nb  Nb3  1  0.66200685  0.83799315  0.50000000  1.0
  Ga  Ga4  1  0.25000000  0.25000000  0.00000000  1.0
  Ga  Ga5  1  0.75000000  0.75000000  0.00000000  1.0
  H  H6  1  0.75000000  0.25000000  0.50000000  1.0
  H  H7  1  0.25000000  0.75000000  0.50000000  1.0