# generated using pymatgen
data_LiCa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58493686
_cell_length_b   7.58494029
_cell_length_c   6.21285476
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999115
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa3
_chemical_formula_sum   'Li2 Ca6'
_cell_volume   309.54657834
_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  0.33333300  0.66666700  0.75000000  1.0
  Li  Li1  1  0.66666700  0.33333300  0.25000000  1.0
  Ca  Ca2  1  0.16907034  0.33813968  0.25000000  1.0
  Ca  Ca3  1  0.66186032  0.83092966  0.25000000  1.0
  Ca  Ca4  1  0.16907034  0.83092966  0.25000000  1.0
  Ca  Ca5  1  0.83092966  0.66186032  0.75000000  1.0
  Ca  Ca6  1  0.33813968  0.16907034  0.75000000  1.0
  Ca  Ca7  1  0.83092966  0.16907034  0.75000000  1.0