data_[Li24Mg4Cu12]
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 [Cmc2_1]
_cell_length_a [7.5812]
_cell_length_b [13.1868]
_cell_length_c [6.4120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6MgCu3]
_chemical_formula_sum '[Li24 Mg4 Cu12]'
_cell_volume [641.0178]
_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
[
  Li  Li0  8  0.1781  0.4707  0.1613  1.0
  Li  Li1  8  0.1917  0.3303  0.8293  1.0
  Li  Li2  4  0.0000  0.0283  0.2881  1.0
  Li  Li3  4  0.0000  0.2661  0.1876  1.0
  Mg  Mg4  4  0.0000  0.1846  0.6111  1.0
  Cu  Cu5  8  0.1711  0.1341  0.9630  1.0
  Cu  Cu6  4  0.0000  0.3830  0.4915  1.0
]