# generated using pymatgen
data_Li2CaThSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.50816784
_cell_length_b   9.50816789
_cell_length_c   6.85254612
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   153.49151687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaThSi3
_chemical_formula_sum   'Li4 Ca2 Th2 Si6'
_cell_volume   276.50438931
_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  0.80923788  0.19076212  0.55494361  1.0
  Li  Li1  1  0.19076212  0.80923788  0.44505639  1.0
  Li  Li2  1  0.19076212  0.80923788  0.05494361  1.0
  Li  Li3  1  0.80923788  0.19076212  0.94505639  1.0
  Ca  Ca4  1  0.33968965  0.66031035  0.25000000  1.0
  Ca  Ca5  1  0.66031035  0.33968965  0.75000000  1.0
  Th  Th6  1  0.55441039  0.44558961  0.25000000  1.0
  Th  Th7  1  0.44558961  0.55441039  0.75000000  1.0
  Si  Si8  1  0.94263203  0.05736797  0.07583126  1.0
  Si  Si9  1  0.05736797  0.94263203  0.92416874  1.0
  Si  Si10  1  0.05736797  0.94263203  0.57583126  1.0
  Si  Si11  1  0.94263203  0.05736797  0.42416874  1.0
  Si  Si12  1  0.71641078  0.28358922  0.25000000  1.0
  Si  Si13  1  0.28358922  0.71641078  0.75000000  1.0