data_[Cs2In2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4837]
_cell_length_b [6.4901]
_cell_length_c [6.4965]
_cell_angle_alpha [60.0555]
_cell_angle_beta [61.1982]
_cell_angle_gamma [61.3011]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsInF3]
_chemical_formula_sum '[Cs2 In2 F6]'
_cell_volume [196.9577]
_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  2  0.2497  0.7496  0.2499  1
  In  In1  1  0.0000  0.5000  0.0000  1
  In  In2  1  0.5000  0.0000  0.5000  1
  F  F3  2  0.2214  0.8295  0.6953  1
  F  F4  2  0.2896  0.2459  0.7042  1
  F  F5  2  0.3250  0.2568  0.2255  1
]