# generated using pymatgen
data_ThAl2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28767962
_cell_length_b   4.28767962
_cell_length_c   10.16486455
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAl2IrPt
_chemical_formula_sum   'Th2 Al4 Ir2 Pt2'
_cell_volume   186.87286777
_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  0.00000000  0.50000000  0.23782140  1.0
  Th  Th1  1  0.50000000  0.00000000  0.76217860  1.0
  Al  Al2  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al3  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al4  1  0.00000000  0.50000000  0.87650718  1.0
  Al  Al5  1  0.50000000  0.00000000  0.12349282  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.00000000  1.0
  Pt  Pt8  1  0.00000000  0.50000000  0.63344955  1.0
  Pt  Pt9  1  0.50000000  0.00000000  0.36655045  1.0