# generated using pymatgen
data_CaIn3GaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24115279
_cell_length_b   7.42984144
_cell_length_c   8.30942270
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIn3GaIr
_chemical_formula_sum   'Ca2 In6 Ga2 Ir2'
_cell_volume   261.83898902
_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  0.00000000  0.40524150  0.25000000  1.0
  Ca  Ca1  1  0.00000000  0.59475850  0.75000000  1.0
  In  In2  1  0.50000000  0.30765237  0.56024252  1.0
  In  In3  1  0.50000000  0.07684488  0.25000000  1.0
  In  In4  1  0.50000000  0.92315512  0.75000000  1.0
  In  In5  1  0.50000000  0.30765237  0.93975748  1.0
  In  In6  1  0.50000000  0.69234763  0.06024252  1.0
  In  In7  1  0.50000000  0.69234763  0.43975748  1.0
  Ga  Ga8  1  0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga9  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir10  1  0.00000000  0.82778502  0.25000000  1.0
  Ir  Ir11  1  0.00000000  0.17221498  0.75000000  1.0