data_[Ba6Zn4Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [11.5341]
_cell_length_b [4.4418]
_cell_length_c [9.2484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(ZnCu2)2]
_chemical_formula_sum '[Ba6 Zn4 Cu8]'
_cell_volume [465.9182]
_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
[
  Ba  Ba0  4  0.1156  0.5000  0.3867  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1909  0.5000  0.7908  1.0
  Cu  Cu3  4  0.1176  0.0000  0.6835  1.0
  Cu  Cu4  4  0.2403  0.5000  0.0727  1.0
]