data_[Co4Sn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.4977]
_cell_length_b [5.6987]
_cell_length_c [4.9344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CoSnF4]
_chemical_formula_sum '[Co4 Sn4 F16]'
_cell_volume [359.4348]
_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
[
  Co  Co0  2  0.0000  0.1673  0.0000  1.0
  Co  Co1  2  0.0000  0.6393  0.5000  1.0
  Sn  Sn2  4  0.2199  0.8142  0.2314  1.0
  F  F3  4  0.0603  0.8923  0.2917  1.0
  F  F4  4  0.0650  0.4009  0.3072  1.0
  F  F5  4  0.1456  0.6316  0.8317  1.0
  F  F6  4  0.1507  0.1108  0.9581  1.0
]