data_[Cr4Sn8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.7943]
_cell_length_b [9.7302]
_cell_length_c [10.1394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [CrSn2F11]
_chemical_formula_sum '[Cr4 Sn8 F44]'
_cell_volume [768.9772]
_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
[
  Cr  Cr0  4  0.0000  0.5000  0.2500  1
  Sn  Sn1  8  0.1216  0.1897  0.0000  1
  F  F2  16  0.0770  0.3609  0.1300  1
  F  F3  16  0.2240  0.1056  0.1579  1
  F  F4  8  0.1397  0.2132  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]