# generated using pymatgen
data_NdV3(NiH6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91109009
_cell_length_b   5.83320032
_cell_length_c   4.35039394
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.44072267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdV3(NiH6)2
_chemical_formula_sum   'Nd1 V3 Ni2 H12'
_cell_volume   129.32658094
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.00000000  1.0
  V  V1  1  0.50000000  0.00000000  0.50000000  1.0
  V  V2  1  0.00000000  0.50000000  0.50000000  1.0
  V  V3  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni4  1  0.66697357  0.33392382  0.00000000  1.0
  Ni  Ni5  1  0.33302643  0.66607618  0.00000000  1.0
  H  H6  1  0.79161090  0.58321556  0.74244074  1.0
  H  H7  1  0.20838910  0.41678444  0.25755926  1.0
  H  H8  1  0.20986042  0.79218504  0.25539673  1.0
  H  H9  1  0.79013958  0.20781496  0.25539673  1.0
  H  H10  1  0.58228791  0.79216939  0.25536774  1.0
  H  H11  1  0.41771209  0.20783061  0.25536774  1.0
  H  H12  1  0.41771209  0.20783061  0.74463226  1.0
  H  H13  1  0.20838910  0.41678444  0.74244074  1.0
  H  H14  1  0.79013958  0.20781496  0.74460327  1.0
  H  H15  1  0.58228791  0.79216939  0.74463226  1.0
  H  H16  1  0.79161090  0.58321556  0.25755926  1.0
  H  H17  1  0.20986042  0.79218504  0.74460327  1.0