# generated using pymatgen
data_CaY2(TiIr2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62548717
_cell_length_b   5.62548749
_cell_length_c   15.76308885
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2(TiIr2)3
_chemical_formula_sum   'Ca2 Y4 Ti6 Ir12'
_cell_volume   432.00839848
_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
  Y  Y2  1  0.33333300  0.66666700  0.54300228  1.0
  Y  Y3  1  0.66666700  0.33333300  0.45699772  1.0
  Y  Y4  1  0.66666700  0.33333300  0.04300228  1.0
  Y  Y5  1  0.33333300  0.66666700  0.95699772  1.0
  Ti  Ti6  1  0.00000000  0.00000000  0.25000000  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.75000000  1.0
  Ti  Ti8  1  0.33333300  0.66666700  0.25000000  1.0
  Ti  Ti9  1  0.66666700  0.33333300  0.75000000  1.0
  Ti  Ti10  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti11  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir12  1  0.16926391  0.33852881  0.12441510  1.0
  Ir  Ir13  1  0.83073609  0.66147119  0.87558490  1.0
  Ir  Ir14  1  0.66147119  0.83073609  0.12441510  1.0
  Ir  Ir15  1  0.83073609  0.66147119  0.62441510  1.0
  Ir  Ir16  1  0.33852881  0.16926391  0.87558490  1.0
  Ir  Ir17  1  0.16926391  0.33852881  0.37558490  1.0
  Ir  Ir18  1  0.16926391  0.83073609  0.12441510  1.0
  Ir  Ir19  1  0.33852881  0.16926391  0.62441510  1.0
  Ir  Ir20  1  0.83073609  0.16926391  0.87558490  1.0
  Ir  Ir21  1  0.66147119  0.83073609  0.37558490  1.0
  Ir  Ir22  1  0.83073609  0.16926391  0.62441510  1.0
  Ir  Ir23  1  0.16926391  0.83073609  0.37558490  1.0