data_[Pr2Nd6Sc4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2258]
_cell_length_b [4.3572]
_cell_length_c [8.8833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNd3(ScTe3)2]
_chemical_formula_sum '[Pr2 Nd6 Sc4 Te12]'
_cell_volume [723.1844]
_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  0.0000  0.5000  0.0000  1.0
  Nd  Nd1  4  0.1564  0.0000  0.8303  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  4  0.1642  0.0000  0.3301  1.0
  Te  Te4  4  0.0103  0.0000  0.2570  1.0
  Te  Te5  4  0.1723  0.5000  0.1039  1.0
  Te  Te6  4  0.1737  0.5000  0.5710  1.0
]