data_[Ca9Zn3Ag24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7365]
_cell_length_b [5.7365]
_cell_length_c [27.5738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3ZnAg8]
_chemical_formula_sum '[Ca9 Zn3 Ag24]'
_cell_volume [785.8220]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.0118  1.0
  Ca  Ca1  3  0.0000  0.0000  0.4919  1.0
  Ca  Ca2  3  0.0000  0.0000  0.6222  1.0
  Zn  Zn3  3  0.0000  0.0000  0.1343  1.0
  Ag  Ag4  9  0.0001  0.5001  0.5606  1.0
  Ag  Ag5  9  0.1676  0.3352  0.3952  1.0
  Ag  Ag6  3  0.0000  0.0000  0.3115  1.0
  Ag  Ag7  3  0.0000  0.0000  0.8110  1.0
]