# generated using pymatgen
data_Th4NiIr13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32337159
_cell_length_b   5.32337249
_cell_length_c   13.50545745
_cell_angle_alpha   78.63360932
_cell_angle_beta   78.63360983
_cell_angle_gamma   59.99999326
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4NiIr13
_chemical_formula_sum   'Th4 Ni1 Ir13'
_cell_volume   322.74991268
_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  0.95023404  0.95023404  0.14929789  1.0
  Th  Th1  1  0.04929566  0.04929566  0.85211201  1.0
  Th  Th2  1  0.85246072  0.85246072  0.44261885  1.0
  Th  Th3  1  0.14619195  0.14619195  0.56142415  1.0
  Ni  Ni4  1  0.38853601  0.38853601  0.83438997  1.0
  Ir  Ir5  1  0.38975867  0.38975867  0.32876403  1.0
  Ir  Ir6  1  0.89171962  0.38975867  0.32876403  1.0
  Ir  Ir7  1  0.38975867  0.89171962  0.32876403  1.0
  Ir  Ir8  1  0.60726320  0.60726320  0.67411553  1.0
  Ir  Ir9  1  0.11135807  0.60726320  0.67411553  1.0
  Ir  Ir10  1  0.60726320  0.11135807  0.67411553  1.0
  Ir  Ir11  1  0.00293393  0.50023494  0.99659518  1.0
  Ir  Ir12  1  0.50023494  0.00293393  0.99659518  1.0
  Ir  Ir13  1  0.50023494  0.50023494  0.99659518  1.0
  Ir  Ir14  1  0.72243510  0.72243510  0.83269269  1.0
  Ir  Ir15  1  0.27847102  0.27847102  0.16458694  1.0
  Ir  Ir16  1  0.61225074  0.61225074  0.16324977  1.0
  Ir  Ir17  1  0.49959850  0.49959850  0.50120550  1.0