data_[Sm3Tm3Tl3S3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8105]
_cell_length_b [3.8105]
_cell_length_c [24.6914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmTmTlS]
_chemical_formula_sum '[Sm3 Tm3 Tl3 S3]'
_cell_volume [310.4829]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1526  1.0
  Tm  Tm1  3  0.0000  0.0000  0.3544  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5889  1.0
  S  S3  3  0.0000  0.0000  0.7507  1.0
]