data_[Mg4Sn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1802]
_cell_length_b [14.6623]
_cell_length_c [5.6967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MgSnF4]
_chemical_formula_sum '[Mg4 Sn4 F16]'
_cell_volume [349.1596]
_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
[
  Mg  Mg0  4  0.0000  0.4132  0.2687  1.0
  Sn  Sn1  4  0.0000  0.1575  0.2186  1.0
  F  F2  4  0.0000  0.1012  0.8356  1.0
  F  F3  4  0.0000  0.2951  0.0811  1.0
  F  F4  4  0.0000  0.3285  0.5534  1.0
  F  F5  4  0.0000  0.4798  0.9759  1.0
]