data_[Cs6Sr2F12]
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/m]
_cell_length_a [9.0490]
_cell_length_b [11.4872]
_cell_length_c [6.8705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3SrF6]
_chemical_formula_sum '[Cs6 Sr2 F12]'
_cell_volume [547.0293]
_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  0.0000  0.2175  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.0000  1.0
  Sr  Sr2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.2249  0.8642  0.0403  1.0
  F  F4  4  0.1826  0.0000  0.4562  1.0
]