# generated using pymatgen
data_LiCa4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32005598
_cell_length_b   8.32005598
_cell_length_c   8.32005598
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa4
_chemical_formula_sum   'Li2 Ca8'
_cell_volume   407.25248834
_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  1.0
  Li  Li1  1  0.25000000  0.25000000  0.25000000  1.0
  Ca  Ca2  1  0.38983400  0.38983400  0.38983400  1.0
  Ca  Ca3  1  0.38983400  0.38983400  0.83049900  1.0
  Ca  Ca4  1  0.38983400  0.83049900  0.38983400  1.0
  Ca  Ca5  1  0.86016600  0.86016600  0.41950100  1.0
  Ca  Ca6  1  0.86016600  0.86016600  0.86016600  1.0
  Ca  Ca7  1  0.83049900  0.38983400  0.38983400  1.0
  Ca  Ca8  1  0.86016600  0.41950100  0.86016600  1.0
  Ca  Ca9  1  0.41950100  0.86016600  0.86016600  1.0