data_[Ca6Si8Ag14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2342]
_cell_length_b [4.3426]
_cell_length_c [9.6404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Si4Ag7]
_chemical_formula_sum '[Ca6 Si8 Ag14]'
_cell_volume [555.7088]
_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  0.1860  0.5000  0.1861  1
  Ca  Ca1  2  0.0000  0.0000  0.5000  1
  Si  Si2  4  0.1127  0.0000  0.3273  1
  Si  Si3  4  0.1692  0.5000  0.7831  1
  Ag  Ag4  4  0.0056  0.5000  0.7749  1
  Ag  Ag5  4  0.1563  0.0000  0.9122  1
  Ag  Ag6  4  0.1887  0.5000  0.5306  1
  Ag  Ag7  2  0.0000  0.0000  0.0000  1
]