# generated using pymatgen
data_LiLu(ThSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51010840
_cell_length_b   7.51010840
_cell_length_c   4.26552062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLu(ThSi)4
_chemical_formula_sum   'Li1 Lu1 Th4 Si4'
_cell_volume   240.58273479
_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  1.0
  Lu  Lu1  1  0.50000000  0.50000000  0.00000000  1.0
  Th  Th2  1  0.68942460  0.17072215  0.50000000  1.0
  Th  Th3  1  0.31057540  0.82927785  0.50000000  1.0
  Th  Th4  1  0.17072215  0.31057540  0.50000000  1.0
  Th  Th5  1  0.82927785  0.68942460  0.50000000  1.0
  Si  Si6  1  0.12396496  0.60609856  0.00000000  1.0
  Si  Si7  1  0.87603504  0.39390144  0.00000000  1.0
  Si  Si8  1  0.60609856  0.87603504  0.00000000  1.0
  Si  Si9  1  0.39390144  0.12396496  0.00000000  1.0