data_[Sm16Tl2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5729]
_cell_length_b [5.1721]
_cell_length_c [7.9208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8TlAg2]
_chemical_formula_sum '[Sm16 Tl2 Ag4]'
_cell_volume [662.1803]
_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  0.0423  0.0000  0.7601  1.0
  Sm  Sm1  4  0.0927  0.5000  0.4616  1.0
  Sm  Sm2  4  0.1792  0.5000  0.9662  1.0
  Sm  Sm3  4  0.1834  0.0000  0.2770  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.1918  0.0000  0.6593  1.0
]