data_[Ca2Zn1Ag1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9794]
_cell_length_b [5.4179]
_cell_length_c [7.8348]
_cell_angle_alpha [83.4542]
_cell_angle_beta [89.0944]
_cell_angle_gamma [83.1125]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2ZnAgF8]
_chemical_formula_sum '[Ca2 Zn1 Ag1 F8]'
_cell_volume [166.6039]
_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  2  0.4994  0.4962  0.7573  1.0
  Zn  Zn1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5000  1.0
  F  F3  2  0.0501  0.2477  0.7940  1.0
  F  F4  2  0.0529  0.2472  0.2674  1.0
  F  F5  2  0.4262  0.7612  0.9751  1.0
  F  F6  2  0.4409  0.7422  0.4784  1.0
]