data_[Cs2Sr1Li1F6]
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
  Li  0.9800  1.4500  0.9000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7354]
_cell_length_b [4.7354]
_cell_length_c [8.7626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cs2SrLiF6]
_chemical_formula_sum '[Cs2 Sr1 Li1 F6]'
_cell_volume [196.4968]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2725  1
  Sr  Sr1  1  0.5000  0.5000  0.0000  1
  Li  Li2  1  0.5000  0.5000  0.5000  1
  F  F3  2  0.0000  0.5000  0.0000  1
  F  F4  2  0.0000  0.5000  0.5000  1
  F  F5  2  0.5000  0.5000  0.2816  1
]