# generated using pymatgen
data_CaCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.95685420
_cell_length_b   11.95685420
_cell_length_c   11.95685420
_cell_angle_alpha   157.92224322
_cell_angle_beta   141.49584053
_cell_angle_gamma   44.82708343
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuSn
_chemical_formula_sum   'Ca6 Cu6 Sn6'
_cell_volume   399.08090051
_cell_formula_units_Z   6
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  0.75842411  0.83512441  0.92330070  1.0
  Ca  Ca1  1  0.67262839  0.66943479  0.00319361  1.0
  Ca  Ca2  1  0.42168118  0.50000000  0.92168118  1.0
  Ca  Ca3  1  0.00652348  0.00000000  0.00652348  1.0
  Ca  Ca4  1  0.08817629  0.16487559  0.92330070  1.0
  Ca  Ca5  1  0.33375882  0.33056521  0.00319361  1.0
  Cu  Cu6  1  0.06600760  0.76942267  0.29658592  1.0
  Cu  Cu7  1  0.55573634  0.92828474  0.62745160  1.0
  Cu  Cu8  1  0.52716325  0.23057733  0.29658592  1.0
  Cu  Cu9  1  0.23318641  0.60399190  0.62919451  1.0
  Cu  Cu10  1  0.69916785  0.07171526  0.62745160  1.0
  Cu  Cu11  1  0.02520161  0.39600810  0.62919451  1.0
  Sn  Sn12  1  0.73073593  0.43231367  0.29842226  1.0
  Sn  Sn13  1  0.20056813  0.90030086  0.30026727  1.0
  Sn  Sn14  1  0.89234959  0.26686729  0.62548230  1.0
  Sn  Sn15  1  0.35861500  0.73313271  0.62548230  1.0
  Sn  Sn16  1  0.86610859  0.56768633  0.29842226  1.0
  Sn  Sn17  1  0.39996740  0.09969914  0.30026727  1.0