data_[Pr2Sc6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [12.1242]
_cell_length_b [4.2523]
_cell_length_c [12.4238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr(ScTe2)3]
_chemical_formula_sum '[Pr2 Sc6 Te12]'
_cell_volume [604.4109]
_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  0.0509  0.2500  0.7024  1.0
  Sc  Sc1  2  0.1556  0.2500  0.0852  1.0
  Sc  Sc2  2  0.3190  0.7500  0.4976  1.0
  Sc  Sc3  2  0.4407  0.2500  0.8394  1.0
  Te  Te4  2  0.0849  0.7500  0.9118  1.0
  Te  Te5  2  0.1232  0.2500  0.4691  1.0
  Te  Te6  2  0.2027  0.7500  0.2487  1.0
  Te  Te7  2  0.2699  0.7500  0.7267  1.0
  Te  Te8  2  0.3895  0.2500  0.0588  1.0
  Te  Te9  2  0.4796  0.2500  0.6161  1.0
]