data_[Mg2Zn2Cu4]
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 [Cm]
_cell_length_a [9.3954]
_cell_length_b [3.1132]
_cell_length_c [4.2236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgZnCu2]
_chemical_formula_sum '[Mg2 Zn2 Cu4]'
_cell_volume [113.0687]
_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  0.0048  0.5000  0.5141  1.0
  Zn  Zn1  2  0.2334  0.5000  0.2221  1.0
  Cu  Cu2  2  0.2660  0.0000  0.7561  1.0
  Cu  Cu3  2  0.4958  0.5000  0.0077  1.0
]