data_[Mg2Sn2F8]
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 [P-1]
_cell_length_a [5.0693]
_cell_length_b [5.5401]
_cell_length_c [6.6545]
_cell_angle_alpha [73.5854]
_cell_angle_beta [71.0140]
_cell_angle_gamma [89.7626]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgSnF4]
_chemical_formula_sum '[Mg2 Sn2 F8]'
_cell_volume [168.7236]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Sn  Sn2  2  0.2726  0.7688  0.9322  1.0
  F  F3  2  0.1669  0.6845  0.6168  1.0
  F  F4  2  0.2508  0.1666  0.6177  1.0
  F  F5  2  0.3081  0.0504  0.1981  1.0
  F  F6  2  0.4774  0.5327  0.1946  1.0
]