data_[Li24Ca3Ag18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.4498]
_cell_length_b [8.4498]
_cell_length_c [14.8476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8CaAg6]
_chemical_formula_sum '[Li24 Ca3 Ag18]'
_cell_volume [918.0736]
_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  18  0.0282  0.2470  0.1962  1.0
  Li  Li1  6  0.0000  0.0000  0.3830  1.0
  Ca  Ca2  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  18  0.0097  0.3025  0.6949  1.0
]