# generated using pymatgen
data_Ca2Zn12Cu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63682741
_cell_length_b   6.60745955
_cell_length_c   6.63682649
_cell_angle_alpha   83.39771447
_cell_angle_beta   83.02776659
_cell_angle_gamma   83.39770940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Zn12Cu5
_chemical_formula_sum   'Ca2 Zn12 Cu5'
_cell_volume   285.46372506
_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  0.65435799  0.65306381  0.65435799  1.0
  Ca  Ca1  1  0.34134244  0.34184042  0.34134244  1.0
  Zn  Zn2  1  0.10254346  0.10249651  0.10254346  1.0
  Zn  Zn3  1  0.89669201  0.89708176  0.89669201  1.0
  Zn  Zn4  1  0.29764097  0.69932013  0.99941057  1.0
  Zn  Zn5  1  0.71036103  0.00444492  0.29219081  1.0
  Zn  Zn6  1  0.00129171  0.29904135  0.70162307  1.0
  Zn  Zn7  1  0.70162307  0.29904135  0.00129171  1.0
  Zn  Zn8  1  0.29219081  0.00444492  0.71036103  1.0
  Zn  Zn9  1  0.99941057  0.69932013  0.29764097  1.0
  Zn  Zn10  1  0.15238962  0.65246014  0.65642957  1.0
  Zn  Zn11  1  0.65642957  0.65246014  0.15238962  1.0
  Zn  Zn12  1  0.65265061  0.15498928  0.65265061  1.0
  Zn  Zn13  1  0.34544582  0.85489474  0.34544582  1.0
  Cu  Cu14  1  0.34554096  0.34494535  0.84716976  1.0
  Cu  Cu15  1  0.84716976  0.34494535  0.34554096  1.0
  Cu  Cu16  1  0.99805224  0.99968287  0.50213014  1.0
  Cu  Cu17  1  0.00273921  0.49584395  0.00273921  1.0
  Cu  Cu18  1  0.50213014  0.99968287  0.99805224  1.0