# generated using pymatgen
data_Li2Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19327088
_cell_length_b   6.19326877
_cell_length_c   10.18371546
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ca
_chemical_formula_sum   'Li8 Ca4'
_cell_volume   338.28042363
_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  0.33548865  0.16774432  0.75000000  1.0
  Li  Li1  1  0.16774432  0.83225568  0.25000000  1.0
  Li  Li2  1  0.16774432  0.33548865  0.25000000  1.0
  Li  Li3  1  0.83225568  0.66451135  0.75000000  1.0
  Li  Li4  1  0.83225568  0.16774432  0.75000000  1.0
  Li  Li5  1  0.00000000  0.00000000  0.00000000  1.0
  Li  Li6  1  0.66451135  0.83225568  0.25000000  1.0
  Li  Li7  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca8  1  0.66666700  0.33333300  0.06218969  1.0
  Ca  Ca9  1  0.33333300  0.66666700  0.56218969  1.0
  Ca  Ca10  1  0.33333300  0.66666700  0.93781031  1.0
  Ca  Ca11  1  0.66666700  0.33333300  0.43781031  1.0