# generated using pymatgen
data_CaCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36014100
_cell_length_b   7.50676200
_cell_length_c   21.47119100
_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   702.76369248
_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  0.26425800  0.71546600  0.49852900  1.0
  Ca  Ca1  1  0.76425800  0.28453400  0.50147100  1.0
  Ca  Ca2  1  0.76425800  0.21546600  0.00147100  1.0
  Ca  Ca3  1  0.26425800  0.78453400  0.99852900  1.0
  Ca  Ca4  1  0.76174100  0.20669500  0.66622800  1.0
  Ca  Ca5  1  0.26174100  0.79330500  0.33377200  1.0
  Ca  Ca6  1  0.26174100  0.70669500  0.83377200  1.0
  Ca  Ca7  1  0.76174100  0.29330500  0.16622800  1.0
  Ca  Ca8  1  0.25985800  0.79442300  0.66710700  1.0
  Ca  Ca9  1  0.75985800  0.20557700  0.33289300  1.0
  Ca  Ca10  1  0.75985800  0.29442300  0.83289300  1.0
  Ca  Ca11  1  0.25985800  0.70557700  0.16710700  1.0
  Cu  Cu12  1  0.75050500  0.58405800  0.59694100  1.0
  Cu  Cu13  1  0.25050500  0.41594200  0.40305900  1.0
  Cu  Cu14  1  0.25050500  0.08405800  0.90305900  1.0
  Cu  Cu15  1  0.75050500  0.91594200  0.09694100  1.0
  Cu  Cu16  1  0.75447600  0.58733900  0.73539700  1.0
  Cu  Cu17  1  0.25447600  0.41266100  0.26460300  1.0
  Cu  Cu18  1  0.25447600  0.08733900  0.76460300  1.0
  Cu  Cu19  1  0.75447600  0.91266100  0.23539700  1.0
  Cu  Cu20  1  0.25466500  0.07844100  0.56307700  1.0
  Cu  Cu21  1  0.75466500  0.92155900  0.43692300  1.0
  Cu  Cu22  1  0.75466500  0.57844100  0.93692300  1.0
  Cu  Cu23  1  0.25466500  0.42155900  0.06307700  1.0
  Ge  Ge24  1  0.25419600  0.41970400  0.72962800  1.0
  Ge  Ge25  1  0.75419600  0.58029600  0.27037200  1.0
  Ge  Ge26  1  0.75419600  0.91970400  0.77037200  1.0
  Ge  Ge27  1  0.25419600  0.08029600  0.22962800  1.0
  Ge  Ge28  1  0.75549700  0.90858500  0.56978000  1.0
  Ge  Ge29  1  0.25549700  0.09141500  0.43022000  1.0
  Ge  Ge30  1  0.25549700  0.40858500  0.93022000  1.0
  Ge  Ge31  1  0.75549700  0.59141500  0.06978000  1.0
  Ge  Ge32  1  0.25480300  0.41525700  0.60185100  1.0
  Ge  Ge33  1  0.75480300  0.58474300  0.39814900  1.0
  Ge  Ge34  1  0.75480300  0.91525700  0.89814900  1.0
  Ge  Ge35  1  0.25480300  0.08474300  0.10185100  1.0