data_[Cs4Sm2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0545]
_cell_length_b [7.0605]
_cell_length_c [4.1716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2SmF6]
_chemical_formula_sum '[Cs4 Sm2 F12]'
_cell_volume [400.5032]
_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
[
  Cs  Cs0  4  0.1677  0.5000  0.6659  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1319  0.2043  0.1360  1.0
  F  F3  4  0.0000  0.1803  0.5000  1.0
]