data_[Pr18Sc6Te36]
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 [R-3]
_cell_length_a [12.9874]
_cell_length_b [12.9874]
_cell_length_c [15.6476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr3ScTe6]
_chemical_formula_sum '[Pr18 Sc6 Te36]'
_cell_volume [2285.7111]
_cell_formula_units_Z [6]
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  18  0.0560  0.7813  0.6998  1.0
  Sc  Sc1  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  3  0.0000  0.0000  0.5000  1.0
  Te  Te3  18  0.0160  0.8182  0.8964  1.0
  Te  Te4  18  0.0347  0.8419  0.3862  1.0
]