# generated using pymatgen
data_Ca2Al3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76151004
_cell_length_b   5.76151056
_cell_length_c   7.27101356
_cell_angle_alpha   116.00142591
_cell_angle_beta   116.00142941
_cell_angle_gamma   41.00570526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Al3Ir2
_chemical_formula_sum   'Ca2 Al3 Ir2'
_cell_volume   139.94850829
_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  0.85655854  0.85655854  0.22643845  1.0
  Ca  Ca1  1  0.14344246  0.14344246  0.77356255  1.0
  Al  Al2  1  0.50000000  0.50000000  0.00000000  1.0
  Al  Al3  1  0.65497279  0.65497279  0.43643993  1.0
  Al  Al4  1  0.34502821  0.34502821  0.56356007  1.0
  Ir  Ir5  1  0.12699005  0.12699005  0.20908380  1.0
  Ir  Ir6  1  0.87300995  0.87300995  0.79091620  1.0