data_[Sm8Tm4Zn4S20]
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
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8380]
_cell_length_b [16.7581]
_cell_length_c [11.8448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2TmZnS5]
_chemical_formula_sum '[Sm8 Tm4 Zn4 S20]'
_cell_volume [761.8211]
_cell_formula_units_Z [4]
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  4  0.0000  0.1144  0.6833  1.0
  Sm  Sm1  4  0.0000  0.1325  0.3172  1.0
  Tm  Tm2  4  0.0000  0.1984  0.0153  1.0
  Zn  Zn3  4  0.0000  0.4544  0.4479  1.0
  S  S4  4  0.0000  0.0409  0.0552  1.0
  S  S5  4  0.0000  0.2897  0.6742  1.0
  S  S6  4  0.0000  0.3156  0.3551  1.0
  S  S7  4  0.0000  0.3567  0.0038  1.0
  S  S8  4  0.0000  0.4930  0.7719  1.0
]