data_[Cs4Sr4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8308]
_cell_length_b [6.7753]
_cell_length_c [6.7671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsSrF3]
_chemical_formula_sum '[Cs4 Sr4 F12]'
_cell_volume [445.1153]
_cell_formula_units_Z [4]
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  0.0000  0.2469  0.2500  1.0
  Sr  Sr1  4  0.2500  0.2500  0.0000  1.0
  F  F2  8  0.2459  0.4569  0.7024  1.0
  F  F3  4  0.0000  0.2383  0.7500  1.0
]