# generated using pymatgen
data_LiCaAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93379868
_cell_length_b   6.93379868
_cell_length_c   5.24378400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaAl3
_chemical_formula_sum   'Li2 Ca2 Al6'
_cell_volume   218.33223143
_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  0.75000000  1
  Li  Li1  1  0.00000000  0.00000000  0.25000000  1
  Ca  Ca2  1  0.66666700  0.33333300  0.75000000  1
  Ca  Ca3  1  0.33333300  0.66666700  0.25000000  1
  Al  Al4  1  0.59557000  0.77971000  0.75000000  1
  Al  Al5  1  0.18414000  0.40443000  0.75000000  1
  Al  Al6  1  0.22029000  0.81586000  0.75000000  1
  Al  Al7  1  0.40443000  0.22029000  0.25000000  1
  Al  Al8  1  0.81586000  0.59557000  0.25000000  1
  Al  Al9  1  0.77971000  0.18414000  0.25000000  1
