data_[Sm2Ag4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3166]
_cell_length_b [4.1091]
_cell_length_c [7.3759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmAg2F6]
_chemical_formula_sum '[Sm2 Ag4 F12]'
_cell_volume [306.2914]
_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  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.1750  0.0000  0.1247  1.0
  F  F2  4  0.0252  0.0000  0.2074  1.0
  F  F3  4  0.1165  0.5000  0.5444  1.0
  F  F4  4  0.2077  0.0000  0.8335  1.0
]