data_[Ca6Zn8Ag4]
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 [C2/m]
_cell_length_a [10.9963]
_cell_length_b [4.5432]
_cell_length_c [8.7861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(Zn2Ag)2]
_chemical_formula_sum '[Ca6 Zn8 Ag4]'
_cell_volume [411.3819]
_cell_formula_units_Z [2]
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  4  0.1710  0.5000  0.6630  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.0471  0.0000  0.3863  1
  Zn  Zn3  4  0.2247  0.5000  0.0527  1
  Ag  Ag4  4  0.1054  0.5000  0.2715  1
]