data_[Sm8I20F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8376]
_cell_length_b [16.0629]
_cell_length_c [21.8141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm2I5F]
_chemical_formula_sum '[Sm8 I20 F4]'
_cell_volume [1344.6980]
_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
[
  Sm  Sm0  8  0.0000  0.2448  0.6627  1
  I  I1  8  0.0000  0.1128  0.1239  1
  I  I2  8  0.0000  0.3453  0.0739  1
  I  I3  4  0.0000  0.3948  0.2500  1
  F  F4  4  0.0000  0.2155  0.2500  1
]