data_[Li3Ca9Ag24]
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 [R3m]
_cell_length_a [5.7618]
_cell_length_b [5.7618]
_cell_length_c [27.9790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiCa3Ag8]
_chemical_formula_sum '[Li3 Ca9 Ag24]'
_cell_volume [804.4266]
_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  0.8701  1.0
  Ca  Ca1  3  0.0000  0.0000  0.3770  1.0
  Ca  Ca2  3  0.0000  0.0000  0.5061  1.0
  Ca  Ca3  3  0.0000  0.0000  0.9923  1.0
  Ag  Ag4  9  0.0001  0.5001  0.4385  1.0
  Ag  Ag5  9  0.0016  0.5008  0.9376  1.0
  Ag  Ag6  3  0.0000  0.0000  0.1883  1.0
  Ag  Ag7  3  0.0000  0.0000  0.6879  1.0
]