data_[Pr2Tm8S10]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8780]
_cell_length_b [5.5208]
_cell_length_c [19.5615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [PrTm4S5]
_chemical_formula_sum '[Pr2 Tm8 S10]'
_cell_volume [418.8042]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1
  Tm  Tm1  4  0.0000  0.0000  0.2035  1
  Tm  Tm2  4  0.0000  0.0000  0.4010  1
  S  S3  4  0.0000  0.5000  0.1983  1
  S  S4  4  0.0000  0.5000  0.3915  1
  S  S5  2  0.0000  0.5000  0.0000  1
]