data_[Li5Mg4Cu2]
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 [P2/m]
_cell_length_a [7.4590]
_cell_length_b [3.0838]
_cell_length_c [9.1319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li5(Mg2Cu)2]
_chemical_formula_sum '[Li5 Mg4 Cu2]'
_cell_volume [209.6787]
_cell_formula_units_Z [1]
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  2  0.1826  0.0000  0.1549  1.0
  Li  Li1  2  0.4427  0.0000  0.6783  1.0
  Li  Li2  1  0.5000  0.0000  0.0000  1.0
  Mg  Mg3  2  0.1672  0.5000  0.8651  1.0
  Mg  Mg4  2  0.2317  0.5000  0.4380  1.0
  Cu  Cu5  2  0.0653  0.0000  0.6341  1.0
]