# generated using pymatgen
data_Ca3GaGeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72923371
_cell_length_b   7.82207203
_cell_length_c   13.62576852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3GaGeIr2
_chemical_formula_sum   'Ca12 Ga4 Ge4 Ir8'
_cell_volume   610.63171324
_cell_formula_units_Z   4
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  0.14218011  0.60503172  0.09896754  1.0
  Ca  Ca1  1  0.14218011  0.89496828  0.90103246  1.0
  Ca  Ca2  1  0.85781989  0.10503172  0.40103246  1.0
  Ca  Ca3  1  0.85781989  0.39496828  0.59896754  1.0
  Ca  Ca4  1  0.85781989  0.39496828  0.90103246  1.0
  Ca  Ca5  1  0.85781989  0.10503172  0.09896754  1.0
  Ca  Ca6  1  0.14218011  0.89496828  0.59896754  1.0
  Ca  Ca7  1  0.14218011  0.60503172  0.40103246  1.0
  Ca  Ca8  1  0.36734208  0.26002682  0.25000000  1.0
  Ca  Ca9  1  0.36734208  0.23997318  0.75000000  1.0
  Ca  Ca10  1  0.63265792  0.76002682  0.25000000  1.0
  Ca  Ca11  1  0.63265792  0.73997318  0.75000000  1.0
  Ga  Ga12  1  0.40530691  0.25000000  0.00000000  1.0
  Ga  Ga13  1  0.59469309  0.75000000  0.50000000  1.0
  Ga  Ga14  1  0.59469309  0.75000000  0.00000000  1.0
  Ga  Ga15  1  0.40530691  0.25000000  0.50000000  1.0
  Ge  Ge16  1  0.84551694  0.41231230  0.25000000  1.0
  Ge  Ge17  1  0.84551694  0.08768770  0.75000000  1.0
  Ge  Ge18  1  0.15448306  0.91231230  0.25000000  1.0
  Ge  Ge19  1  0.15448306  0.58768770  0.75000000  1.0
  Ir  Ir20  1  0.63997221  0.47503601  0.09390283  1.0
  Ir  Ir21  1  0.63997221  0.02496399  0.90609717  1.0
  Ir  Ir22  1  0.36002779  0.97503601  0.40609717  1.0
  Ir  Ir23  1  0.36002779  0.52496399  0.59390283  1.0
  Ir  Ir24  1  0.36002779  0.52496399  0.90609717  1.0
  Ir  Ir25  1  0.36002779  0.97503601  0.09390283  1.0
  Ir  Ir26  1  0.63997221  0.02496399  0.59390283  1.0
  Ir  Ir27  1  0.63997221  0.47503601  0.40609717  1.0