# generated using pymatgen
data_CaCe2(MgIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36316272
_cell_length_b   7.36316372
_cell_length_c   4.13838183
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.89685957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCe2(MgIr)3
_chemical_formula_sum   'Ca1 Ce2 Mg3 Ir3'
_cell_volume   190.48791899
_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  0.41421753  0.41421753  0.00000000  1.0
  Ce  Ce1  1  0.58547718  0.99805978  0.00000000  1.0
  Ce  Ce2  1  0.99805978  0.58547718  0.00000000  1.0
  Mg  Mg3  1  0.00951308  0.23775927  0.50000000  1.0
  Mg  Mg4  1  0.74677213  0.74677213  0.50000000  1.0
  Mg  Mg5  1  0.23775927  0.00951308  0.50000000  1.0
  Ir  Ir6  1  0.98466901  0.98466901  0.00000000  1.0
  Ir  Ir7  1  0.69205884  0.33147316  0.50000000  1.0
  Ir  Ir8  1  0.33147316  0.69205884  0.50000000  1.0