# generated using pymatgen
data_Y13Th3(MgIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80185497
_cell_length_b   9.81258655
_cell_length_c   9.81258654
_cell_angle_alpha   60.00000001
_cell_angle_beta   59.96377599
_cell_angle_gamma   59.96377662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y13Th3(MgIr)4
_chemical_formula_sum   'Y13 Th3 Mg4 Ir4'
_cell_volume   666.99453005
_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
  Y  Y0  1  0.20634674  0.59788475  0.59788475  1.0
  Y  Y1  1  0.06265064  0.43806124  0.43806124  1.0
  Y  Y2  1  0.43721391  0.06296193  0.06296193  1.0
  Y  Y3  1  0.43721391  0.06296193  0.43686323  1.0
  Y  Y4  1  0.06265064  0.43806124  0.06122788  1.0
  Y  Y5  1  0.43721391  0.43686323  0.06296193  1.0
  Y  Y6  1  0.06265064  0.06122788  0.43806124  1.0
  Y  Y7  1  0.18709523  0.81324316  0.81324316  1.0
  Y  Y8  1  0.81350353  0.18606477  0.18606477  1.0
  Y  Y9  1  0.81350353  0.18606477  0.81436593  1.0
  Y  Y10  1  0.18709523  0.81324316  0.18641945  1.0
  Y  Y11  1  0.81350353  0.81436593  0.18606477  1.0
  Y  Y12  1  0.18709523  0.18641945  0.81324316  1.0
  Th  Th13  1  0.59477360  0.59795671  0.59795671  1.0
  Th  Th14  1  0.59477360  0.59795671  0.20931298  1.0
  Th  Th15  1  0.59477360  0.20931298  0.59795671  1.0
  Mg  Mg16  1  0.83078833  0.82870572  0.82870572  1.0
  Mg  Mg17  1  0.83078833  0.82870572  0.51180124  1.0
  Mg  Mg18  1  0.83078833  0.51180124  0.82870572  1.0
  Mg  Mg19  1  0.50956049  0.83014717  0.83014717  1.0
  Ir  Ir20  1  0.39575551  0.39131710  0.39131710  1.0
  Ir  Ir21  1  0.39575551  0.39131710  0.82161128  1.0
  Ir  Ir22  1  0.39575551  0.82161128  0.39131710  1.0
  Ir  Ir23  1  0.81875253  0.39374882  0.39374882  1.0