data_[Li3La6Cu48]
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 [R3m]
_cell_length_a [8.6819]
_cell_length_b [8.6819]
_cell_length_c [12.7131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li(LaCu8)2]
_chemical_formula_sum '[Li3 La6 Cu48]'
_cell_volume [829.8674]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0910  1
  La  La1  3  0.0000  0.0000  0.3475  1
  La  La2  3  0.0000  0.0000  0.6605  1
  Cu  Cu3  18  0.0003  0.2928  0.9993  1
  Cu  Cu4  9  0.0014  0.5007  0.4998  1
  Cu  Cu5  9  0.0016  0.5008  0.8439  1
  Cu  Cu6  9  0.1685  0.3371  0.4907  1
  Cu  Cu7  3  0.0000  0.0000  0.9019  1
]