# generated using pymatgen
data_Th3Sc2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20771753
_cell_length_b   8.27119729
_cell_length_c   8.27113068
_cell_angle_alpha   120.00034211
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc2Ir3
_chemical_formula_sum   'Th6 Sc4 Ir6'
_cell_volume   367.78528094
_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  0.74999725  0.26238594  0.00000063  1.0
  Th  Th1  1  0.74999629  0.73760839  0.73760244  1.0
  Th  Th2  1  0.74999572  0.00000552  0.26239723  1.0
  Th  Th3  1  0.24999725  0.73761406  0.99999937  1.0
  Th  Th4  1  0.24999629  0.26239161  0.26239756  1.0
  Th  Th5  1  0.24999572  0.99999448  0.73760277  1.0
  Sc  Sc6  1  0.50000245  0.33333793  0.66668535  1.0
  Sc  Sc7  1  0.50000113  0.66665997  0.33331630  1.0
  Sc  Sc8  1  0.00000245  0.66666207  0.33331465  1.0
  Sc  Sc9  1  0.00000113  0.33334003  0.66668370  1.0
  Ir  Ir10  1  0.75000388  0.61112488  0.00000255  1.0
  Ir  Ir11  1  0.75000203  0.38887324  0.38887206  1.0
  Ir  Ir12  1  0.75000125  0.00000391  0.61112535  1.0
  Ir  Ir13  1  0.25000388  0.38887512  0.99999745  1.0
  Ir  Ir14  1  0.25000303  0.61112676  0.61112794  1.0
  Ir  Ir15  1  0.25000225  0.99999609  0.38887465  1.0