# generated using pymatgen
data_Li4Ca(ThSi2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45557410
_cell_length_b   9.45557355
_cell_length_c   6.79519325
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.93982537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ca(ThSi2)3
_chemical_formula_sum   'Li4 Ca1 Th3 Si6'
_cell_volume   276.38748454
_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  0.19094790  0.80905210  0.06640208  1.0
  Li  Li1  1  0.19094790  0.80905210  0.43359792  1.0
  Li  Li2  1  0.81094403  0.18905597  0.94497687  1.0
  Li  Li3  1  0.81094403  0.18905597  0.55502313  1.0
  Ca  Ca4  1  0.34211906  0.65788094  0.25000000  1.0
  Th  Th5  1  0.65741955  0.34258045  0.75000000  1.0
  Th  Th6  1  0.55129922  0.44870078  0.25000000  1.0
  Th  Th7  1  0.44758453  0.55241547  0.75000000  1.0
  Si  Si8  1  0.71457112  0.28542888  0.25000000  1.0
  Si  Si9  1  0.27821722  0.72178278  0.75000000  1.0
  Si  Si10  1  0.05985809  0.94014191  0.92747228  1.0
  Si  Si11  1  0.94264514  0.05735486  0.07196234  1.0
  Si  Si12  1  0.94264514  0.05735486  0.42803766  1.0
  Si  Si13  1  0.05985809  0.94014191  0.57252772  1.0