# generated using pymatgen
data_LiCa(NiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77956875
_cell_length_b   4.77956571
_cell_length_c   4.77787501
_cell_angle_alpha   120.03108985
_cell_angle_beta   120.03111502
_cell_angle_gamma   89.97265853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa(NiH3)2
_chemical_formula_sum   'Li1 Ca1 Ni2 H6'
_cell_volume   77.12443163
_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  0.74999691  0.74999815  0.00000007  1.0
  Ca  Ca1  1  0.24999881  0.24999936  0.99999950  1.0
  Ni  Ni2  1  0.49999605  0.00000304  0.49999942  1.0
  Ni  Ni3  1  0.00000323  0.49999556  0.49999912  1.0
  H  H4  1  0.25002248  0.75002230  0.00004467  1.0
  H  H5  1  0.74997673  0.75002209  0.49999880  1.0
  H  H6  1  0.74997596  0.24997675  0.49999888  1.0
  H  H7  1  0.25002270  0.75002268  0.50000005  1.0
  H  H8  1  0.25002222  0.24997685  0.49999924  1.0
  H  H9  1  0.74997691  0.24997622  0.99995426  1.0