# generated using pymatgen
data_Ba2Ca(GaIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64049273
_cell_length_b   6.64049388
_cell_length_c   11.80993630
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.09150684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ca(GaIr)4
_chemical_formula_sum   'Ba4 Ca2 Ga8 Ir8'
_cell_volume   489.08120885
_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
  Ba  Ba0  1  0.21632914  0.78367086  0.50000000  1.0
  Ba  Ba1  1  0.21632914  0.78367086  0.00000000  1.0
  Ba  Ba2  1  0.78367086  0.21632914  0.50000000  1.0
  Ba  Ba3  1  0.78367086  0.21632914  0.00000000  1.0
  Ca  Ca4  1  0.01415704  0.01415704  0.25000000  1.0
  Ca  Ca5  1  0.98584296  0.98584296  0.75000000  1.0
  Ga  Ga6  1  0.51001180  0.89674852  0.25000000  1.0
  Ga  Ga7  1  0.10325148  0.48998820  0.75000000  1.0
  Ga  Ga8  1  0.48998820  0.10325148  0.75000000  1.0
  Ga  Ga9  1  0.89674852  0.51001180  0.25000000  1.0
  Ga  Ga10  1  0.33134879  0.33134879  0.42566684  1.0
  Ga  Ga11  1  0.66865121  0.66865121  0.57433316  1.0
  Ga  Ga12  1  0.33134879  0.33134879  0.07433316  1.0
  Ga  Ga13  1  0.66865121  0.66865121  0.92566684  1.0
  Ir  Ir14  1  0.51291599  0.25981969  0.25000000  1.0
  Ir  Ir15  1  0.74018031  0.48708401  0.75000000  1.0
  Ir  Ir16  1  0.48708401  0.74018031  0.75000000  1.0
  Ir  Ir17  1  0.25981969  0.51291599  0.25000000  1.0
  Ir  Ir18  1  0.65604579  0.65604579  0.36845906  1.0
  Ir  Ir19  1  0.34395421  0.34395421  0.63154094  1.0
  Ir  Ir20  1  0.65604579  0.65604579  0.13154094  1.0
  Ir  Ir21  1  0.34395421  0.34395421  0.86845906  1.0