# generated using pymatgen
data_Li2CaAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.42477756
_cell_length_b   12.38349395
_cell_length_c   12.38349352
_cell_angle_alpha   59.71041339
_cell_angle_beta   59.88966089
_cell_angle_gamma   59.88965979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaAl
_chemical_formula_sum   'Li2 Ca1 Al1'
_cell_volume   1342.07672391
_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  0.77631328  0.00000000  1.00000000  1
  Li  Li1  1  0.22368672  1.00000000  0.00000000  1
  Ca  Ca2  1  0.50000000  -0.00000000  0.00000000  1
  Al  Al3  1  0.00000000  -0.00000000  0.00000000  1
