data_[Ca1Ag1H2F8]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8168]
_cell_length_b [5.2766]
_cell_length_c [6.9865]
_cell_angle_alpha [77.7531]
_cell_angle_beta [89.6694]
_cell_angle_gamma [73.7953]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaAgH2F8]
_chemical_formula_sum '[Ca1 Ag1 H2 F8]'
_cell_volume [166.3665]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.2707  0.4663  0.3434  1.0
  F  F3  2  0.2119  0.8028  0.8045  1.0
  F  F4  2  0.2221  0.7394  0.2763  1.0
  F  F5  2  0.2495  0.2338  0.9779  1.0
  F  F6  2  0.3038  0.2795  0.4300  1.0
]