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 [3.8271]
_cell_length_b [16.7888]
_cell_length_c [11.8697]
_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 [762.6574]
_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  0.1145  0.6832  1
  Sm  Sm1  4  0.0000  0.1326  0.3171  1
  Tm  Tm2  4  0.0000  0.1983  0.0154  1
  Zn  Zn3  4  0.0000  0.4544  0.4478  1
  S  S4  4  0.0000  0.0411  0.0552  1
  S  S5  4  0.0000  0.2897  0.6739  1
  S  S6  4  0.0000  0.3156  0.3554  1
  S  S7  4  0.0000  0.3563  0.0035  1
  S  S8  4  0.0000  0.4931  0.7724  1
]