# generated using pymatgen
data_LiY3ThIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79015769
_cell_length_b   9.79015728
_cell_length_c   9.79015736
_cell_angle_alpha   59.99999971
_cell_angle_beta   60.00000109
_cell_angle_gamma   59.99999934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY3ThIr
_chemical_formula_sum   'Li4 Y12 Th4 Ir4'
_cell_volume   663.52001919
_cell_formula_units_Z   4
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  0.57904151  0.57904151  0.57904151  1.0
  Li  Li1  1  0.57904151  0.57904151  0.26287548  1.0
  Li  Li2  1  0.57904151  0.26287548  0.57904151  1.0
  Li  Li3  1  0.26287548  0.57904151  0.57904151  1.0
  Y  Y4  1  0.81378220  0.18621780  0.18621780  1.0
  Y  Y5  1  0.18621780  0.81378220  0.81378220  1.0
  Y  Y6  1  0.18621780  0.81378220  0.18621780  1.0
  Y  Y7  1  0.81378220  0.18621780  0.81378220  1.0
  Y  Y8  1  0.18621780  0.18621780  0.81378220  1.0
  Y  Y9  1  0.81378220  0.81378220  0.18621780  1.0
  Y  Y10  1  0.93557117  0.56442883  0.56442883  1.0
  Y  Y11  1  0.56442883  0.93557117  0.93557117  1.0
  Y  Y12  1  0.56442883  0.93557117  0.56442883  1.0
  Y  Y13  1  0.93557117  0.56442883  0.93557117  1.0
  Y  Y14  1  0.56442883  0.56442883  0.93557117  1.0
  Y  Y15  1  0.93557117  0.93557117  0.56442883  1.0
  Th  Th16  1  0.34737162  0.34737162  0.34737162  1.0
  Th  Th17  1  0.34737162  0.34737162  0.95788415  1.0
  Th  Th18  1  0.34737162  0.95788415  0.34737162  1.0
  Th  Th19  1  0.95788415  0.34737162  0.34737162  1.0
  Ir  Ir20  1  0.14375494  0.14375494  0.14375494  1.0
  Ir  Ir21  1  0.14375494  0.14375494  0.56873519  1.0
  Ir  Ir22  1  0.14375494  0.56873519  0.14375494  1.0
  Ir  Ir23  1  0.56873519  0.14375494  0.14375494  1.0