data_[Ca2Ag2Mo2F12]
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
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.2817]
_cell_length_b [5.2817]
_cell_length_c [10.6791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaAgMoF6]
_chemical_formula_sum '[Ca2 Ag2 Mo2 F12]'
_cell_volume [297.9118]
_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  0.6692  1.0
  Ag  Ag1  2  0.0000  0.0000  0.9982  1.0
  Mo  Mo2  2  0.0000  0.0000  0.3332  1.0
  F  F3  4  0.1762  0.8238  0.4889  1.0
  F  F4  4  0.1959  0.8041  0.1904  1.0
  F  F5  4  0.2179  0.7821  0.8204  1.0
]