data_[Ca16Zn4Ag2]
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 [19.1085]
_cell_length_b [5.2718]
_cell_length_c [7.4606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8Zn2Ag]
_chemical_formula_sum '[Ca16 Zn4 Ag2]'
_cell_volume [720.2970]
_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  0.0313  0.0000  0.7880  1.0
  Ca  Ca1  4  0.0949  0.5000  0.4521  1.0
  Ca  Ca2  4  0.1673  0.5000  0.9685  1.0
  Ca  Ca3  4  0.2044  0.0000  0.3159  1.0
  Zn  Zn4  4  0.1843  0.0000  0.7125  1.0
  Ag  Ag5  2  0.0000  0.5000  0.0000  1.0
]