data_[Tb2Pr2Y2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8830]
_cell_length_b [3.9140]
_cell_length_c [10.3780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbPrYS3]
_chemical_formula_sum '[Tb2 Pr2 Y2 S6]'
_cell_volume [272.8440]
_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
[
  Tb  Tb0  2  0.2344  0.2500  0.9446  1
  Pr  Pr1  2  0.3426  0.7500  0.3049  1
  Y  Y2  2  0.1270  0.7500  0.6316  1
  S  S3  2  0.0508  0.2500  0.1558  1
  S  S4  2  0.2728  0.2500  0.4995  1
  S  S5  2  0.4517  0.7500  0.8386  1
]