data_[Sm4Tl2Sn2]
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 [P2_1/m]
_cell_length_a [6.2986]
_cell_length_b [4.4007]
_cell_length_c [9.0885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm2TlSn]
_chemical_formula_sum '[Sm4 Tl2 Sn2]'
_cell_volume [239.3741]
_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  0.2086  0.7500  0.4343  1
  Sm  Sm1  2  0.3044  0.2500  0.0725  1
  Tl  Tl2  2  0.1103  0.7500  0.7985  1
  Sn  Sn3  2  0.3764  0.2500  0.7055  1
]