data_[Pr3Y6Sc3Te18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.6888]
_cell_length_b [7.6888]
_cell_length_c [21.0191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PrY2ScTe6]
_chemical_formula_sum '[Pr3 Y6 Sc3 Te18]'
_cell_volume [1076.1283]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8210  1.0
  Y  Y1  3  0.0000  0.0000  0.0078  1.0
  Y  Y2  3  0.0000  0.0000  0.5115  1.0
  Sc  Sc3  3  0.0000  0.0000  0.3254  1.0
  Te  Te4  9  0.0024  0.3490  0.5852  1.0
  Te  Te5  9  0.0357  0.6754  0.0801  1.0
]