data_[Sm2Tl2Ge2S8]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6035]
_cell_length_b [6.6722]
_cell_length_c [8.7892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmTlGeS4]
_chemical_formula_sum '[Sm2 Tl2 Ge2 S8]'
_cell_volume [370.6150]
_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  0.2295  0.2500  0.5543  1.0
  Tl  Tl1  2  0.2644  0.2500  0.0699  1.0
  Ge  Ge2  2  0.2257  0.7500  0.3231  1.0
  S  S3  4  0.0003  0.0071  0.2878  1.0
  S  S4  2  0.4243  0.7500  0.5762  1.0
  S  S5  2  0.4273  0.7500  0.1629  1.0
]