data_[Sm4Tl1Sn3]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3907]
_cell_length_b [4.6244]
_cell_length_c [11.6525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4TlSn3]
_chemical_formula_sum '[Sm4 Tl1 Sn3]'
_cell_volume [236.5985]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8653  1.0
  Sm  Sm1  1  0.0000  0.5000  0.3655  1.0
  Sm  Sm2  1  0.5000  0.0000  0.1375  1.0
  Sm  Sm3  1  0.5000  0.5000  0.6336  1.0
  Tl  Tl4  1  0.5000  0.5000  0.9096  1.0
  Sn  Sn5  1  0.0000  0.0000  0.5910  1.0
  Sn  Sn6  1  0.0000  0.5000  0.0878  1.0
  Sn  Sn7  1  0.5000  0.0000  0.4097  1.0
]