# generated using pymatgen
data_LiYb(NiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71376415
_cell_length_b   4.71380391
_cell_length_c   4.71438098
_cell_angle_alpha   120.00672028
_cell_angle_beta   120.00686589
_cell_angle_gamma   89.97884039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYb(NiH3)2
_chemical_formula_sum   'Li1 Yb1 Ni2 H6'
_cell_volume   74.06960271
_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
  Li  Li0  1  0.75000344  0.75000355  0.99999989  1.0
  Yb  Yb1  1  0.24999831  0.24999838  0.99999957  1.0
  Ni  Ni2  1  0.50000107  0.99999112  0.49998758  1.0
  Ni  Ni3  1  0.99999686  0.50000597  0.50001116  1.0
  H  H4  1  0.25001908  0.75001796  0.00003806  1.0
  H  H5  1  0.74997787  0.75001977  0.49999908  1.0
  H  H6  1  0.74998023  0.24998083  0.49999954  1.0
  H  H7  1  0.25001689  0.75001592  0.49999864  1.0
  H  H8  1  0.25002010  0.24997725  0.49999895  1.0
  H  H9  1  0.74998015  0.24997926  0.99996052  1.0