data_[Pr8Sc4Cu4Te20]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2772]
_cell_length_b [18.9462]
_cell_length_c [12.8700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2ScCuTe5]
_chemical_formula_sum '[Pr8 Sc4 Cu4 Te20]'
_cell_volume [1042.9551]
_cell_formula_units_Z [4]
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  0.0000  0.1105  0.6881  1.0
  Pr  Pr1  4  0.0000  0.1263  0.3065  1.0
  Sc  Sc2  4  0.0000  0.1885  0.0105  1.0
  Cu  Cu3  4  0.0000  0.4250  0.4575  1.0
  Te  Te4  4  0.0000  0.0446  0.0620  1.0
  Te  Te5  4  0.0000  0.2856  0.6636  1.0
  Te  Te6  4  0.0000  0.3071  0.3485  1.0
  Te  Te7  4  0.0000  0.3489  0.0001  1.0
  Te  Te8  4  0.0000  0.4999  0.2872  1.0
]