# generated using pymatgen
data_LiThCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77948244
_cell_length_b   5.77948309
_cell_length_c   5.77948255
_cell_angle_alpha   138.17213009
_cell_angle_beta   138.17213375
_cell_angle_gamma   60.63946403
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiThCuSi2
_chemical_formula_sum   'Li1 Th1 Cu1 Si2'
_cell_volume   84.93779497
_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  0.75000000  0.25000000  0.50000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.25000000  0.75000000  0.50000000  1.0
  Si  Si3  1  0.61849905  0.61849905  1.00000000  1.0
  Si  Si4  1  0.38150095  0.38150095  0.00000000  1.0