# generated using pymatgen
data_CaU2(AlIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07752907
_cell_length_b   7.07764700
_cell_length_c   4.01802116
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.46042736
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaU2(AlIr)3
_chemical_formula_sum   'Ca1 U2 Al3 Ir3'
_cell_volume   171.68495416
_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
  Ca  Ca0  1  0.41932106  0.41932116  0.50000000  1.0
  U  U1  1  0.57757227  0.00453293  0.50000000  1.0
  U  U2  1  0.00449162  0.57755435  0.50000000  1.0
  Al  Al3  1  0.75132344  0.75131596  0.00000000  1.0
  Al  Al4  1  0.23106490  0.00692756  0.00000000  1.0
  Al  Al5  1  0.00698020  0.23109340  0.00000000  1.0
  Ir  Ir6  1  0.69882181  0.32944055  0.00000000  1.0
  Ir  Ir7  1  0.32930536  0.69871465  0.00000000  1.0
  Ir  Ir8  1  0.98111935  0.98109943  0.50000000  1.0