data_[Cs4Ba2Sr2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9423]
_cell_length_b [6.9874]
_cell_length_c [12.0222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2BaSrF6]
_chemical_formula_sum '[Cs4 Ba2 Sr2 F12]'
_cell_volume [477.0541]
_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
[
  Cs  Cs0  4  0.2420  0.5289  0.7497  1
  Ba  Ba1  2  0.5000  0.0000  0.0000  1
  Sr  Sr2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.1658  0.7237  0.4591  1
  F  F4  4  0.2366  0.2084  0.4607  1
  F  F5  4  0.3160  0.5241  0.2415  1
]