# generated using pymatgen
data_LiCaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.76333531
_cell_length_b   11.76333531
_cell_length_c   11.76333531
_cell_angle_alpha   125.79188568
_cell_angle_beta   118.14084226
_cell_angle_gamma   86.76201774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaAu2
_chemical_formula_sum   'Li1 Ca1 Au2'
_cell_volume   1108.17609434
_cell_formula_units_Z   1
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
  Ca  Ca1  1  0.00000000  0.50000000  0.50000000  1
  Au  Au2  1  0.00000000  0.23934500  0.23934500  1
  Au  Au3  1  0.00000000  0.76065500  0.76065500  1
