# generated using pymatgen
data_CaZn2CuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84771454
_cell_length_b   8.87112221
_cell_length_c   3.96477569
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.91274926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2CuNi2
_chemical_formula_sum   'Ca3 Zn6 Cu3 Ni6'
_cell_volume   269.73672298
_cell_formula_units_Z   3
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  0.00390138  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.33098221  0.66542001  0.00000000  1.0
  Ca  Ca2  1  0.66556320  0.33457999  0.00000000  1.0
  Zn  Zn3  1  0.49689114  1.00000000  0.50000000  1.0
  Zn  Zn4  1  0.30015857  0.29728182  0.00000000  1.0
  Zn  Zn5  1  0.00287575  0.70271818  0.00000000  1.0
  Zn  Zn6  1  0.99974646  0.30176673  0.00000000  1.0
  Zn  Zn7  1  0.69797973  0.69823327  0.00000000  1.0
  Zn  Zn8  1  0.70867490  1.00000000  0.00000000  1.0
  Cu  Cu9  1  0.49902273  0.50024678  0.50000000  1.0
  Cu  Cu10  1  0.99877596  0.49975322  0.50000000  1.0
  Cu  Cu11  1  0.29634683  0.00000000  0.00000000  1.0
  Ni  Ni12  1  0.18020932  0.36117181  0.50000000  1.0
  Ni  Ni13  1  0.81820502  0.18064001  0.50000000  1.0
  Ni  Ni14  1  0.36294349  0.18182169  0.50000000  1.0
  Ni  Ni15  1  0.63756501  0.81935999  0.50000000  1.0
  Ni  Ni16  1  0.18112180  0.81817831  0.50000000  1.0
  Ni  Ni17  1  0.81903750  0.63882819  0.50000000  1.0