data_[Sm2Tl2Zn2S6]
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
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0766]
_cell_length_b [4.0426]
_cell_length_c [10.3305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmTlZnS3]
_chemical_formula_sum '[Sm2 Tl2 Zn2 S6]'
_cell_volume [320.9049]
_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  0.3047  0.7500  0.8634  1
  Tl  Tl1  2  0.2730  0.2500  0.2884  1
  Zn  Zn2  2  0.0736  0.2500  0.6075  1
  S  S3  2  0.0569  0.2500  0.8285  1
  S  S4  2  0.2114  0.7500  0.5621  1
  S  S5  2  0.4558  0.7500  0.1413  1
]