data_[Ba8Mg4Zn8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.9678]
_cell_length_b [14.7539]
_cell_length_c [6.7367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba2MgZn2Cu]
_chemical_formula_sum '[Ba8 Mg4 Zn8 Cu4]'
_cell_volume [692.5502]
_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  8  0.2314  0.8376  0.5000  1.0
  Mg  Mg1  4  0.0000  0.5000  0.2500  1.0
  Zn  Zn2  8  0.2266  0.0813  0.5000  1.0
  Cu  Cu3  4  0.0000  0.0000  0.2500  1.0
]