data_[Pr4Sc4Te12]
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 [P2_1/c]
_cell_length_a [9.9552]
_cell_length_b [8.3963]
_cell_length_c [9.4321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrScTe3]
_chemical_formula_sum '[Pr4 Sc4 Te12]'
_cell_volume [704.1148]
_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  0.1110  0.7099  0.0532  1
  Sc  Sc1  4  0.3114  0.1111  0.9202  1
  Te  Te2  4  0.0007  0.0064  0.7940  1
  Te  Te3  4  0.2551  0.1512  0.6059  1
  Te  Te4  4  0.3781  0.7203  0.4445  1
]