# generated using pymatgen
data_CaCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33804284
_cell_length_b   7.42217422
_cell_length_c   21.26730818
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuGe
_chemical_formula_sum   'Ca12 Cu12 Ge12'
_cell_volume   684.75861557
_cell_formula_units_Z   12
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  0.25000000  0.71416070  0.00163289  1.0
  Ca  Ca1  1  0.75000000  0.28583930  0.99836711  1.0
  Ca  Ca2  1  0.75000000  0.21416070  0.49836711  1.0
  Ca  Ca3  1  0.25000000  0.78583930  0.50163289  1.0
  Ca  Ca4  1  0.25000000  0.79259545  0.16627288  1.0
  Ca  Ca5  1  0.75000000  0.20740455  0.83372712  1.0
  Ca  Ca6  1  0.75000000  0.29259545  0.33372712  1.0
  Ca  Ca7  1  0.25000000  0.70740455  0.66627288  1.0
  Ca  Ca8  1  0.25000000  0.70540918  0.33311922  1.0
  Ca  Ca9  1  0.75000000  0.29459082  0.66688078  1.0
  Ca  Ca10  1  0.75000000  0.20540918  0.16688078  1.0
  Ca  Ca11  1  0.25000000  0.79459082  0.83311922  1.0
  Cu  Cu12  1  0.25000000  0.41566417  0.09773109  1.0
  Cu  Cu13  1  0.75000000  0.58433583  0.90226891  1.0
  Cu  Cu14  1  0.75000000  0.91566417  0.40226891  1.0
  Cu  Cu15  1  0.25000000  0.08433583  0.59773109  1.0
  Cu  Cu16  1  0.25000000  0.41134101  0.23497307  1.0
  Cu  Cu17  1  0.75000000  0.58865899  0.76502693  1.0
  Cu  Cu18  1  0.75000000  0.91134101  0.26502693  1.0
  Cu  Cu19  1  0.25000000  0.08865899  0.73497307  1.0
  Cu  Cu20  1  0.25000000  0.41868747  0.43717885  1.0
  Cu  Cu21  1  0.75000000  0.58131253  0.56282115  1.0
  Cu  Cu22  1  0.75000000  0.91868747  0.06282115  1.0
  Cu  Cu23  1  0.25000000  0.08131253  0.93717885  1.0
  Ge  Ge24  1  0.25000000  0.09164028  0.06896370  1.0
  Ge  Ge25  1  0.75000000  0.90835972  0.93103630  1.0
  Ge  Ge26  1  0.75000000  0.59164028  0.43103630  1.0
  Ge  Ge27  1  0.25000000  0.40835972  0.56896370  1.0
  Ge  Ge28  1  0.25000000  0.08146483  0.26976759  1.0
  Ge  Ge29  1  0.75000000  0.91853517  0.73023241  1.0
  Ge  Ge30  1  0.75000000  0.58146483  0.23023241  1.0
  Ge  Ge31  1  0.25000000  0.41853517  0.76976759  1.0
  Ge  Ge32  1  0.25000000  0.08489491  0.39809299  1.0
  Ge  Ge33  1  0.75000000  0.91510509  0.60190701  1.0
  Ge  Ge34  1  0.75000000  0.58489491  0.10190701  1.0
  Ge  Ge35  1  0.25000000  0.41510509  0.89809299  1.0