data_[Ca4Ga2Ag2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.0681]
_cell_length_b [7.1519]
_cell_length_c [7.2611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca2GaAgF8]
_chemical_formula_sum '[Ca4 Ga2 Ag2 F16]'
_cell_volume [367.0517]
_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  0.0000  0.5000  0.2458  1
  Ga  Ga1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.0000  0.1873  0.1886  1
  F  F4  4  0.1833  0.5000  0.5000  1
  F  F5  4  0.2206  0.5000  0.0000  1
]