data_[Cs6In2F8]
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 [Pmn2_1]
_cell_length_a [11.6179]
_cell_length_b [6.1516]
_cell_length_c [6.1588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cs3InF4]
_chemical_formula_sum '[Cs6 In2 F8]'
_cell_volume [440.1584]
_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  0.2499  0.2534  0.9567  1.0
  Cs  Cs1  2  0.0000  0.2366  0.4453  1.0
  In  In2  2  0.0000  0.7381  0.9429  1.0
  F  F3  4  0.2421  0.7577  0.9634  1.0
  F  F4  2  0.0000  0.1037  0.9478  1.0
  F  F5  2  0.0000  0.7405  0.3084  1.0
]