data_[Mg8Zn8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [9.2274]
_cell_length_b [5.4132]
_cell_length_c [7.1239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2Zn2Cu]
_chemical_formula_sum '[Mg8 Zn8 Cu4]'
_cell_volume [335.8239]
_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
[
  Mg  Mg0  8  0.1652  0.3835  0.1373  1.0
  Zn  Zn1  8  0.1139  0.1366  0.4750  1.0
  Cu  Cu2  4  0.0000  0.2307  0.7500  1.0
]