data_[Pr4Nb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0360]
_cell_length_b [4.0117]
_cell_length_c [9.0318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNbTe3]
_chemical_formula_sum '[Pr4 Nb4 Te12]'
_cell_volume [580.6830]
_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  0.1016  0.5000  0.8953  1.0
  Nb  Nb1  4  0.2103  0.0000  0.3862  1.0
  Te  Te2  4  0.0574  0.0000  0.1739  1.0
  Te  Te3  4  0.1198  0.5000  0.5314  1.0
  Te  Te4  4  0.2460  0.5000  0.1657  1.0
]