data_[Ca2In2Ag2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.3064]
_cell_length_b [5.3064]
_cell_length_c [10.6987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaInAgF6]
_chemical_formula_sum '[Ca2 In2 Ag2 F12]'
_cell_volume [301.2550]
_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  2  0.0000  0.0000  0.6690  1.0
  In  In1  2  0.0000  0.0000  0.3329  1.0
  Ag  Ag2  2  0.0000  0.0000  0.9988  1.0
  F  F3  4  0.1766  0.8234  0.4893  1.0
  F  F4  4  0.1980  0.8020  0.1915  1.0
  F  F5  4  0.2185  0.7815  0.8188  1.0
]