data_[Pr6Sm4Sc2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  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 [19.4330]
_cell_length_b [4.4115]
_cell_length_c [8.9735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Sm2ScTe6]
_chemical_formula_sum '[Pr6 Sm4 Sc2 Te12]'
_cell_volume [747.2097]
_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  4  0.1743  0.0000  0.8380  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.1688  0.0000  0.3349  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0008  0.0000  0.7695  1.0
  Te  Te5  4  0.1559  0.5000  0.0826  1.0
  Te  Te6  4  0.1669  0.5000  0.5792  1.0
]