data_[Ca6Zn8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5377]
_cell_length_b [4.4119]
_cell_length_c [8.6312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(Zn2Cu)2]
_chemical_formula_sum '[Ca6 Zn8 Cu4]'
_cell_volume [378.8205]
_cell_formula_units_Z [2]
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  4  0.1398  0.5000  0.6856  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0981  0.0000  0.4212  1.0
  Zn  Zn3  4  0.2233  0.5000  0.0671  1.0
  Cu  Cu4  4  0.1559  0.5000  0.3193  1.0
]