# generated using pymatgen
data_Ca(CuPd)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61969825
_cell_length_b   6.61969912
_cell_length_c   6.61969913
_cell_angle_alpha   136.40528139
_cell_angle_beta   96.72429800
_cell_angle_gamma   99.12986218
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CuPd)6
_chemical_formula_sum   'Ca1 Cu6 Pd6'
_cell_volume   185.66890379
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.23528287  0.50000000  0.73528287  1.0
  Cu  Cu6  1  0.76471713  0.50000000  0.26471713  1.0
  Pd  Pd7  1  0.65139321  0.00000000  0.65139321  1.0
  Pd  Pd8  1  0.34860679  1.00000000  0.34860679  1.0
  Pd  Pd9  1  0.65467173  0.65467173  1.00000000  1.0
  Pd  Pd10  1  0.34532827  0.34532827  0.00000000  1.0
  Pd  Pd11  1  0.19388727  0.69388727  0.50000000  1.0
  Pd  Pd12  1  0.80611273  0.30611273  0.50000000  1.0