# generated using pymatgen
data_Ca6Ga5GeIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77521888
_cell_length_b   8.07486518
_cell_length_c   14.81896391
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Ga5GeIr4
_chemical_formula_sum   'Ca12 Ga10 Ge2 Ir8'
_cell_volume   691.06924969
_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  0.89082670  0.45298997  0.10893546  1.0
  Ca  Ca1  1  0.39082670  0.04701003  0.89106454  1.0
  Ca  Ca2  1  0.61497964  0.95521592  0.39138346  1.0
  Ca  Ca3  1  0.11497964  0.54478408  0.60861654  1.0
  Ca  Ca4  1  0.11497964  0.54478408  0.89138346  1.0
  Ca  Ca5  1  0.61497964  0.95521592  0.10861654  1.0
  Ca  Ca6  1  0.39082670  0.04701003  0.60893546  1.0
  Ca  Ca7  1  0.89082670  0.45298997  0.39106454  1.0
  Ca  Ca8  1  0.37844994  0.29570134  0.25000000  1.0
  Ca  Ca9  1  0.87844994  0.20429866  0.75000000  1.0
  Ca  Ca10  1  0.11063314  0.80880914  0.25000000  1.0
  Ca  Ca11  1  0.61063314  0.69119086  0.75000000  1.0
  Ga  Ga12  1  0.56418343  0.64358130  0.25000000  1.0
  Ga  Ga13  1  0.06418343  0.85641870  0.75000000  1.0
  Ga  Ga14  1  0.37955871  0.32428575  0.03950450  1.0
  Ga  Ga15  1  0.87955871  0.17571425  0.96049550  1.0
  Ga  Ga16  1  0.12879646  0.82514453  0.46121290  1.0
  Ga  Ga17  1  0.62879646  0.67485547  0.53878710  1.0
  Ga  Ga18  1  0.62879646  0.67485547  0.96121290  1.0
  Ga  Ga19  1  0.12879646  0.82514453  0.03878710  1.0
  Ga  Ga20  1  0.87955871  0.17571425  0.53950450  1.0
  Ga  Ga21  1  0.37955871  0.32428575  0.46049550  1.0
  Ge  Ge22  1  0.90867089  0.14980900  0.25000000  1.0
  Ge  Ge23  1  0.40867089  0.35019100  0.75000000  1.0
  Ir  Ir24  1  0.11266946  0.11128829  0.09937577  1.0
  Ir  Ir25  1  0.61266946  0.38871171  0.90062423  1.0
  Ir  Ir26  1  0.39220082  0.61163498  0.40136603  1.0
  Ir  Ir27  1  0.89220082  0.88836502  0.59863397  1.0
  Ir  Ir28  1  0.89220082  0.88836502  0.90136603  1.0
  Ir  Ir29  1  0.39220082  0.61163498  0.09863397  1.0
  Ir  Ir30  1  0.61266946  0.38871171  0.59937577  1.0
  Ir  Ir31  1  0.11266946  0.11128829  0.40062423  1.0