# generated using pymatgen
data_CaEr2(SiIr2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53552328
_cell_length_b   5.53552178
_cell_length_c   14.98443369
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr2(SiIr2)3
_chemical_formula_sum   'Ca2 Er4 Si6 Ir12'
_cell_volume   397.63833712
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.75000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.25000000  1.0
  Er  Er2  1  0.33333300  0.66666700  0.54132882  1.0
  Er  Er3  1  0.66666700  0.33333300  0.45867118  1.0
  Er  Er4  1  0.66666700  0.33333300  0.04132882  1.0
  Er  Er5  1  0.33333300  0.66666700  0.95867118  1.0
  Si  Si6  1  0.00000000  0.00000000  0.25000000  1.0
  Si  Si7  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si8  1  0.33333300  0.66666700  0.25000000  1.0
  Si  Si9  1  0.66666700  0.33333300  0.75000000  1.0
  Si  Si10  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si11  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir12  1  0.16772043  0.33544185  0.12838132  1.0
  Ir  Ir13  1  0.83227957  0.66455815  0.87161868  1.0
  Ir  Ir14  1  0.66455815  0.83227957  0.12838132  1.0
  Ir  Ir15  1  0.83227957  0.66455815  0.62838132  1.0
  Ir  Ir16  1  0.33544185  0.16772043  0.87161868  1.0
  Ir  Ir17  1  0.16772043  0.33544185  0.37161868  1.0
  Ir  Ir18  1  0.16772043  0.83227957  0.12838132  1.0
  Ir  Ir19  1  0.33544185  0.16772043  0.62838132  1.0
  Ir  Ir20  1  0.83227957  0.16772043  0.87161868  1.0
  Ir  Ir21  1  0.66455815  0.83227957  0.37161868  1.0
  Ir  Ir22  1  0.83227957  0.16772043  0.62838132  1.0
  Ir  Ir23  1  0.16772043  0.83227957  0.37161868  1.0