data_[Pr2Sc4In6Te12]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5475]
_cell_length_b [13.0167]
_cell_length_c [8.4216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSc2(InTe2)3]
_chemical_formula_sum '[Pr2 Sc4 In6 Te12]'
_cell_volume [790.0023]
_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  0.0000  0.0000  1.0
  Sc  Sc1  4  0.0000  0.3322  0.0000  1.0
  In  In2  4  0.0000  0.1588  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2499  0.1773  0.2174  1.0
  Te  Te5  4  0.2145  0.5000  0.2097  1.0
]