data_[Pr2Sb6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0588]
_cell_length_b [4.3354]
_cell_length_c [13.1642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr(SbTe2)3]
_chemical_formula_sum '[Pr2 Sb6 Te12]'
_cell_volume [703.1909]
_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  0.3045  0.2500  0.9589  1.0
  Sb  Sb1  2  0.1064  0.7500  0.1467  1.0
  Sb  Sb2  2  0.1555  0.2500  0.5545  1.0
  Sb  Sb3  2  0.4555  0.7500  0.7003  1.0
  Te  Te4  2  0.0739  0.7500  0.3955  1.0
  Te  Te5  2  0.1024  0.7500  0.9258  1.0
  Te  Te6  2  0.2569  0.7500  0.7549  1.0
  Te  Te7  2  0.2675  0.2500  0.2004  1.0
  Te  Te8  2  0.3749  0.2500  0.5326  1.0
  Te  Te9  2  0.4746  0.7500  0.1076  1.0
]