# generated using pymatgen
data_Th2(AlPt3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68065423
_cell_length_b   7.68065319
_cell_length_c   10.53911115
_cell_angle_alpha   67.98548917
_cell_angle_beta   67.98550164
_cell_angle_gamma   59.95065756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2(AlPt3)3
_chemical_formula_sum   'Th4 Al6 Pt18'
_cell_volume   485.16983591
_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
  Th  Th0  1  0.24458859  0.41690489  0.25037136  1.0
  Th  Th1  1  0.75541141  0.58309511  0.74962864  1.0
  Th  Th2  1  0.41690489  0.24458859  0.75037136  1.0
  Th  Th3  1  0.58309511  0.75541141  0.24962864  1.0
  Al  Al4  1  0.17652862  0.64985393  0.49964144  1.0
  Al  Al5  1  0.64985393  0.17652862  0.99964144  1.0
  Al  Al6  1  0.00000000  0.50000000  0.00000000  1.0
  Al  Al7  1  0.82347138  0.35014607  0.50035856  1.0
  Al  Al8  1  0.35014607  0.82347138  0.00035856  1.0
  Al  Al9  1  0.50000000  0.00000000  0.50000000  1.0
  Pt  Pt10  1  0.13483581  0.86516419  0.25000000  1.0
  Pt  Pt11  1  0.34976067  0.52904150  0.92974123  1.0
  Pt  Pt12  1  0.69842496  0.85644126  0.93094372  1.0
  Pt  Pt13  1  0.69873876  0.08651838  0.24822503  1.0
  Pt  Pt14  1  0.85644126  0.69842496  0.43094372  1.0
  Pt  Pt15  1  0.97601779  0.81335269  0.07389936  1.0
  Pt  Pt16  1  0.30157504  0.14355874  0.06905628  1.0
  Pt  Pt17  1  0.65023933  0.47095850  0.07025877  1.0
  Pt  Pt18  1  0.91348162  0.30126124  0.25177497  1.0
  Pt  Pt19  1  0.08651838  0.69873876  0.74822503  1.0
  Pt  Pt20  1  0.81335269  0.97601779  0.57389936  1.0
  Pt  Pt21  1  0.52904150  0.34976067  0.42974123  1.0
  Pt  Pt22  1  0.14355874  0.30157504  0.56905628  1.0
  Pt  Pt23  1  0.30126124  0.91348162  0.75177497  1.0
  Pt  Pt24  1  0.02398221  0.18664731  0.92610064  1.0
  Pt  Pt25  1  0.86516419  0.13483581  0.75000000  1.0
  Pt  Pt26  1  0.47095850  0.65023933  0.57025877  1.0
  Pt  Pt27  1  0.18664731  0.02398221  0.42610064  1.0