data_[Li5La2Cu5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4494]
_cell_length_b [5.2796]
_cell_length_c [9.1092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li5La2Cu5]
_chemical_formula_sum '[Li5 La2 Cu5]'
_cell_volume [213.9839]
_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  4  0.5000  0.2464  0.2431  1
  Li  Li1  1  0.5000  0.5000  0.5000  1
  La  La2  1  0.0000  0.0000  0.5000  1
  La  La3  1  0.0000  0.5000  0.0000  1
  Cu  Cu4  2  0.0000  0.0000  0.1539  1
  Cu  Cu5  2  0.0000  0.5000  0.3371  1
  Cu  Cu6  1  0.5000  0.0000  0.0000  1
]