# generated using pymatgen
data_Th4MnIr13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34490877
_cell_length_b   5.34490919
_cell_length_c   13.54741736
_cell_angle_alpha   78.62283195
_cell_angle_beta   78.62283110
_cell_angle_gamma   59.99999533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4MnIr13
_chemical_formula_sum   'Th4 Mn1 Ir13'
_cell_volume   326.36091075
_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  0.94879838  0.94879838  0.15360585  1.0
  Th  Th1  1  0.04650737  0.04650737  0.86047590  1.0
  Th  Th2  1  0.85263964  0.85263964  0.44208307  1.0
  Th  Th3  1  0.14610916  0.14610916  0.56167251  1.0
  Mn  Mn4  1  0.38961708  0.38961708  0.83114675  1.0
  Ir  Ir5  1  0.38972110  0.38972110  0.32829058  1.0
  Ir  Ir6  1  0.89226822  0.38972110  0.32829058  1.0
  Ir  Ir7  1  0.38972110  0.89226822  0.32829058  1.0
  Ir  Ir8  1  0.61067391  0.61067391  0.66993018  1.0
  Ir  Ir9  1  0.10872200  0.61067391  0.66993018  1.0
  Ir  Ir10  1  0.61067391  0.10872200  0.66993018  1.0
  Ir  Ir11  1  0.00082019  0.50028286  0.99861309  1.0
  Ir  Ir12  1  0.50028286  0.00082019  0.99861309  1.0
  Ir  Ir13  1  0.50028286  0.50028286  0.99861309  1.0
  Ir  Ir14  1  0.72261220  0.72261220  0.83216241  1.0
  Ir  Ir15  1  0.27863546  0.27863546  0.16409463  1.0
  Ir  Ir16  1  0.61188366  0.61188366  0.16435202  1.0
  Ir  Ir17  1  0.50003090  0.50003090  0.49990829  1.0