data_[Mg2Zn6Cu12]
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 [P2_1/m]
_cell_length_a [7.1124]
_cell_length_b [4.2830]
_cell_length_c [9.3851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg(ZnCu2)3]
_chemical_formula_sum '[Mg2 Zn6 Cu12]'
_cell_volume [264.9973]
_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
[
  Mg  Mg0  2  0.0418  0.2500  0.4132  1
  Zn  Zn1  2  0.2356  0.2500  0.0326  1
  Zn  Zn2  2  0.3634  0.7500  0.7801  1
  Zn  Zn3  2  0.4404  0.2500  0.6339  1
  Cu  Cu4  2  0.0687  0.7500  0.8886  1
  Cu  Cu5  2  0.1473  0.2500  0.7431  1
  Cu  Cu6  2  0.1613  0.7500  0.1834  1
  Cu  Cu7  2  0.2808  0.7500  0.4765  1
  Cu  Cu8  2  0.3457  0.2500  0.3261  1
  Cu  Cu9  2  0.4584  0.7500  0.0707  1
]