# generated using pymatgen
data_LiCaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79957847
_cell_length_b   7.95136547
_cell_length_c   10.65169884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaSi2
_chemical_formula_sum   'Li4 Ca4 Si8'
_cell_volume   321.80738963
_cell_formula_units_Z   4
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  0.25000000  0.49996627  0.88744718  1
  Li  Li1  1  0.75000000  0.50003373  0.11255282  1
  Li  Li2  1  0.25000000  0.99996627  0.61255282  1
  Li  Li3  1  0.75000000  0.00003373  0.38744718  1
  Ca  Ca4  1  0.25000000  0.63298164  0.36470214  1
  Ca  Ca5  1  0.75000000  0.36701836  0.63529786  1
  Ca  Ca6  1  0.25000000  0.13298164  0.13529786  1
  Ca  Ca7  1  0.75000000  0.86701836  0.86470214  1
  Si  Si8  1  0.75000000  0.77030777  0.56936603  1
  Si  Si9  1  0.25000000  0.22969223  0.43063397  1
  Si  Si10  1  0.75000000  0.27030777  0.93063397  1
  Si  Si11  1  0.25000000  0.72969223  0.06936603  1
  Si  Si12  1  0.75000000  0.33064098  0.32599516  1
  Si  Si13  1  0.25000000  0.66935902  0.67400484  1
  Si  Si14  1  0.75000000  0.83064098  0.17400484  1
  Si  Si15  1  0.25000000  0.16935902  0.82599516  1
