data_[Ca8Ag12F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [21.3733]
_cell_length_b [5.9209]
_cell_length_c [6.1742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2Ag3F7]
_chemical_formula_sum '[Ca8 Ag12 F28]'
_cell_volume [781.3378]
_cell_formula_units_Z [4]
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  8  0.1008  0.2513  0.2539  1
  Ag  Ag1  8  0.2055  0.2732  0.8205  1
  Ag  Ag2  4  0.0000  0.2239  0.6986  1
  F  F3  8  0.0718  0.0464  0.9609  1
  F  F4  8  0.1348  0.4526  0.5459  1
  F  F5  8  0.1976  0.1084  0.1746  1
  F  F6  4  0.0000  0.3820  0.3098  1
]