data_[Pr8Tm4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [3.8909]
_cell_length_b [16.9856]
_cell_length_c [11.9696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2TmZnS5]
_chemical_formula_sum '[Pr8 Tm4 Zn4 S20]'
_cell_volume [791.0548]
_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
[
  Pr  Pr0  4  0.0000  0.1149  0.6840  1.0
  Pr  Pr1  4  0.0000  0.1316  0.3173  1.0
  Tm  Tm2  4  0.0000  0.1992  0.0157  1.0
  Zn  Zn3  4  0.0000  0.4525  0.4475  1.0
  S  S4  4  0.0000  0.0425  0.0525  1.0
  S  S5  4  0.0000  0.2902  0.6713  1.0
  S  S6  4  0.0000  0.3146  0.3587  1.0
  S  S7  4  0.0000  0.3556  0.0041  1.0
  S  S8  4  0.0000  0.4943  0.7729  1.0
]