# generated using pymatgen
data_LiCaH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11974048
_cell_length_b   5.11974048
_cell_length_c   5.11973957
_cell_angle_alpha   61.18455606
_cell_angle_beta   61.18455606
_cell_angle_gamma   61.18455605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaH3
_chemical_formula_sum   'Li2 Ca2 H6'
_cell_volume   97.42053790
_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
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Ca  Ca2  1  0.25000000  0.25000000  0.25000000  1
  Ca  Ca3  1  0.75000000  0.75000000  0.75000000  1
  H  H4  1  0.69843100  0.80156900  0.25000000  1
  H  H5  1  0.25000000  0.69843100  0.80156900  1
  H  H6  1  0.80156900  0.25000000  0.69843100  1
  H  H7  1  0.75000000  0.30156900  0.19843100  1
  H  H8  1  0.19843100  0.75000000  0.30156900  1
  H  H9  1  0.30156900  0.19843100  0.75000000  1
