# generated using pymatgen
data_CaCe2(SnIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48729442
_cell_length_b   7.48729415
_cell_length_c   4.07254376
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.33034231
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCe2(SnIr)3
_chemical_formula_sum   'Ca1 Ce2 Sn3 Ir3'
_cell_volume   195.01444822
_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  0.40787951  0.40787951  0.00000000  1.0
  Ce  Ce1  1  0.58483844  0.99966850  0.00000000  1.0
  Ce  Ce2  1  0.99966850  0.58483844  0.00000000  1.0
  Sn  Sn3  1  0.01231103  0.25266078  0.50000000  1.0
  Sn  Sn4  1  0.73518551  0.73518551  0.50000000  1.0
  Sn  Sn5  1  0.25266078  0.01231103  0.50000000  1.0
  Ir  Ir6  1  0.98719734  0.98719734  0.00000000  1.0
  Ir  Ir7  1  0.69046071  0.32979717  0.50000000  1.0
  Ir  Ir8  1  0.32979717  0.69046071  0.50000000  1.0