data_[Li16Mg2Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3724]
_cell_length_b [5.4396]
_cell_length_c [6.3882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8MgCu2]
_chemical_formula_sum '[Li16 Mg2 Cu4]'
_cell_volume [383.9497]
_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
[
  Li  Li0  8  0.1161  0.2574  0.4498  1.0
  Li  Li1  4  0.0742  0.5000  0.8585  1.0
  Li  Li2  4  0.2272  0.0000  0.8252  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu4  4  0.2270  0.0000  0.2353  1.0
]