data_[Pr2Th2Sc2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2104]
_cell_length_b [4.2401]
_cell_length_c [10.0970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrThScTe3]
_chemical_formula_sum '[Pr2 Th2 Sc2 Te6]'
_cell_volume [373.0320]
_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  0.1680  0.7500  0.2432  1
  Th  Th1  2  0.3555  0.2500  0.8596  1
  Sc  Sc2  2  0.0963  0.7500  0.6075  1
  Te  Te3  2  0.1033  0.7500  0.8953  1
  Te  Te4  2  0.2477  0.2500  0.5066  1
  Te  Te5  2  0.4113  0.2500  0.1925  1
]