data_[Ba4Zn16Cu4]
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 [16.1942]
_cell_length_b [6.5846]
_cell_length_c [4.8972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaZn4Cu]
_chemical_formula_sum '[Ba4 Zn16 Cu4]'
_cell_volume [508.8675]
_cell_formula_units_Z [4]
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  0.2191  0.0000  0.1707  1.0
  Zn  Zn1  8  0.0875  0.1918  0.5508  1.0
  Zn  Zn2  4  0.0000  0.1923  0.0000  1.0
  Zn  Zn3  4  0.1224  0.5000  0.2480  1.0
  Cu  Cu4  4  0.0413  0.5000  0.7551  1.0
]