data_[Pr4Al4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7106]
_cell_length_b [8.0500]
_cell_length_c [12.6055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrAlTe3]
_chemical_formula_sum '[Pr4 Al4 Te12]'
_cell_volume [664.9234]
_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  0.3420  0.6303  0.2762  1.0
  Al  Al1  4  0.2233  0.1850  0.3752  1.0
  Te  Te2  4  0.0404  0.5436  0.6965  1.0
  Te  Te3  4  0.2337  0.1755  0.5847  1.0
  Te  Te4  4  0.4192  0.7017  0.5649  1.0
]