# generated using pymatgen
data_Y3ThAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68702754
_cell_length_b   9.68702715
_cell_length_c   9.68702768
_cell_angle_alpha   60.00000157
_cell_angle_beta   60.00000290
_cell_angle_gamma   60.00000649
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3ThAlIr
_chemical_formula_sum   'Y12 Th4 Al4 Ir4'
_cell_volume   642.77152651
_cell_formula_units_Z   4
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  0.05820521  0.44179479  0.44179479  1.0
  Y  Y1  1  0.44179479  0.05820521  0.05820521  1.0
  Y  Y2  1  0.44179479  0.05820521  0.44179479  1.0
  Y  Y3  1  0.05820521  0.44179479  0.05820521  1.0
  Y  Y4  1  0.44179479  0.44179479  0.05820521  1.0
  Y  Y5  1  0.05820521  0.05820521  0.44179479  1.0
  Y  Y6  1  0.18779605  0.81220395  0.81220395  1.0
  Y  Y7  1  0.81220395  0.18779605  0.18779605  1.0
  Y  Y8  1  0.81220395  0.18779605  0.81220395  1.0
  Y  Y9  1  0.18779605  0.81220395  0.18779605  1.0
  Y  Y10  1  0.81220395  0.81220395  0.18779605  1.0
  Y  Y11  1  0.18779605  0.18779605  0.81220395  1.0
  Th  Th12  1  0.60035734  0.60035734  0.60035734  1.0
  Th  Th13  1  0.60035734  0.60035734  0.19892697  1.0
  Th  Th14  1  0.60035734  0.19892697  0.60035734  1.0
  Th  Th15  1  0.19892697  0.60035734  0.60035734  1.0
  Al  Al16  1  0.82987861  0.82987861  0.82987861  1.0
  Al  Al17  1  0.82987861  0.82987861  0.51036516  1.0
  Al  Al18  1  0.82987861  0.51036516  0.82987861  1.0
  Al  Al19  1  0.51036516  0.82987861  0.82987861  1.0
  Ir  Ir20  1  0.39311976  0.39311976  0.39311976  1.0
  Ir  Ir21  1  0.39311976  0.39311976  0.82064073  1.0
  Ir  Ir22  1  0.39311976  0.82064073  0.39311976  1.0
  Ir  Ir23  1  0.82064073  0.39311976  0.39311976  1.0