# generated using pymatgen
data_LaNb3(NiH6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05963845
_cell_length_b   6.05963712
_cell_length_c   4.62313190
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb3(NiH6)2
_chemical_formula_sum   'La1 Nb3 Ni2 H12'
_cell_volume   147.01453096
_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
  La  La0  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.00000000  0.50000000  0.50000000  1.0
  Nb  Nb3  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni4  1  0.66666700  0.33333300  0.00000000  1.0
  Ni  Ni5  1  0.33333300  0.66666700  0.00000000  1.0
  H  H6  1  0.79123053  0.58246205  0.76048525  1.0
  H  H7  1  0.20876947  0.41753795  0.23951475  1.0
  H  H8  1  0.20876947  0.79123053  0.23951475  1.0
  H  H9  1  0.79123053  0.20876947  0.23951475  1.0
  H  H10  1  0.58246205  0.79123053  0.23951475  1.0
  H  H11  1  0.41753795  0.20876947  0.23951475  1.0
  H  H12  1  0.41753795  0.20876947  0.76048525  1.0
  H  H13  1  0.20876947  0.41753795  0.76048525  1.0
  H  H14  1  0.79123053  0.20876947  0.76048525  1.0
  H  H15  1  0.58246205  0.79123053  0.76048525  1.0
  H  H16  1  0.79123053  0.58246205  0.23951475  1.0
  H  H17  1  0.20876947  0.79123053  0.76048525  1.0