data_[Sm1Tl2Sb1Te4]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8740]
_cell_length_b [4.5142]
_cell_length_c [8.4865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmTl2SbTe4]
_chemical_formula_sum '[Sm1 Tl2 Sb1 Te4]'
_cell_volume [286.9224]
_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  0.5000  0.5000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  1  0.5000  0.0000  0.5000  1.0
  Sb  Sb3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  2  0.2348  0.5000  0.2147  1.0
  Te  Te5  2  0.2567  0.0000  0.7840  1.0
]