# generated using pymatgen
data_Ca2Al3SiIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17766428
_cell_length_b   4.17766428
_cell_length_c   10.12525076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Al3SiIr4
_chemical_formula_sum   'Ca2 Al3 Si1 Ir4'
_cell_volume   176.71477459
_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  0.50000000  0.00000000  0.24296231  1.0
  Ca  Ca1  1  0.00000000  0.50000000  0.75824304  1.0
  Al  Al2  1  0.00000000  0.50000000  0.12146889  1.0
  Al  Al3  1  0.00000000  0.00000000  0.50300171  1.0
  Al  Al4  1  0.50000000  0.50000000  0.50300171  1.0
  Si  Si5  1  0.50000000  0.00000000  0.87865049  1.0
  Ir  Ir6  1  0.00000000  0.50000000  0.36844913  1.0
  Ir  Ir7  1  0.50000000  0.00000000  0.64195380  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.99113446  1.0
  Ir  Ir9  1  0.50000000  0.50000000  0.99113446  1.0