data_[Sm4Sn2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1732]
_cell_length_b [3.7997]
_cell_length_c [5.7328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2SnF8]
_chemical_formula_sum '[Sm4 Sn2 F16]'
_cell_volume [311.1779]
_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
[
  Sm  Sm0  4  0.1795  0.0000  0.6870  1.0
  Sn  Sn1  2  0.0000  0.5000  0.0000  1.0
  F  F2  4  0.0456  0.0000  0.7982  1.0
  F  F3  4  0.1013  0.5000  0.4589  1.0
  F  F4  4  0.1834  0.5000  0.9612  1.0
  F  F5  4  0.2159  0.0000  0.3277  1.0
]