# generated using pymatgen
data_Th2B2IrPt7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45333241
_cell_length_b   5.41157143
_cell_length_c   7.72723047
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.74700532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2B2IrPt7
_chemical_formula_sum   'Th2 B2 Ir1 Pt7'
_cell_volume   197.98915092
_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
  Th  Th0  1  0.00000000  0.00000000  0.50168128  1.0
  Th  Th1  1  0.00000000  0.00000000  0.99254907  1.0
  B  B2  1  0.67138138  0.33569019  0.50264043  1.0
  B  B3  1  0.32861862  0.66430981  0.50264043  1.0
  Ir  Ir4  1  0.00000000  0.50000000  0.69604817  1.0
  Pt  Pt5  1  0.67307760  0.33653780  0.00007039  1.0
  Pt  Pt6  1  0.50000000  0.50000000  0.29974085  1.0
  Pt  Pt7  1  0.50000000  0.00000000  0.29974085  1.0
  Pt  Pt8  1  0.50000000  0.00000000  0.70331443  1.0
  Pt  Pt9  1  0.50000000  0.50000000  0.70331443  1.0
  Pt  Pt10  1  0.32692240  0.66346220  0.00007039  1.0
  Pt  Pt11  1  0.00000000  0.50000000  0.29818726  1.0