# generated using pymatgen
data_Ca3(CuSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55874418
_cell_length_b   8.05637932
_cell_length_c   12.99118821
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(CuSi)2
_chemical_formula_sum   'Ca12 Cu8 Si8'
_cell_volume   581.78895014
_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  0.12555392  0.62005223  0.10547233  1.0
  Ca  Ca1  1  0.12555392  0.87994777  0.89452767  1.0
  Ca  Ca2  1  0.87444608  0.12005223  0.39452767  1.0
  Ca  Ca3  1  0.87444608  0.37994777  0.60547233  1.0
  Ca  Ca4  1  0.87444608  0.37994777  0.89452767  1.0
  Ca  Ca5  1  0.87444608  0.12005223  0.10547233  1.0
  Ca  Ca6  1  0.12555392  0.87994777  0.60547233  1.0
  Ca  Ca7  1  0.12555392  0.62005223  0.39452767  1.0
  Ca  Ca8  1  0.34253712  0.26074179  0.25000000  1.0
  Ca  Ca9  1  0.34253712  0.23925821  0.75000000  1.0
  Ca  Ca10  1  0.65746288  0.76074179  0.25000000  1.0
  Ca  Ca11  1  0.65746288  0.73925821  0.75000000  1.0
  Cu  Cu12  1  0.61030817  0.47443333  0.08661992  1.0
  Cu  Cu13  1  0.61030817  0.02556667  0.91338008  1.0
  Cu  Cu14  1  0.38969183  0.97443333  0.41338008  1.0
  Cu  Cu15  1  0.38969183  0.52556667  0.58661992  1.0
  Cu  Cu16  1  0.38969183  0.52556667  0.91338008  1.0
  Cu  Cu17  1  0.38969183  0.97443333  0.08661992  1.0
  Cu  Cu18  1  0.61030817  0.02556667  0.58661992  1.0
  Cu  Cu19  1  0.61030817  0.47443333  0.41338008  1.0
  Si  Si20  1  0.37530532  0.25000000  0.00000000  1.0
  Si  Si21  1  0.62469468  0.75000000  0.50000000  1.0
  Si  Si22  1  0.62469468  0.75000000  0.00000000  1.0
  Si  Si23  1  0.37530532  0.25000000  0.50000000  1.0
  Si  Si24  1  0.81757962  0.41318957  0.25000000  1.0
  Si  Si25  1  0.81757962  0.08681043  0.75000000  1.0
  Si  Si26  1  0.18242038  0.91318957  0.25000000  1.0
  Si  Si27  1  0.18242038  0.58681043  0.75000000  1.0