data_[Pr12Te2Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.1508]
_cell_length_b [4.2904]
_cell_length_c [12.2635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr6TeIr3]
_chemical_formula_sum '[Pr12 Te2 Ir6]'
_cell_volume [608.3339]
_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  0.0698  0.7500  0.9036  1
  Pr  Pr1  2  0.1443  0.2500  0.4438  1
  Pr  Pr2  2  0.2490  0.7500  0.2184  1
  Pr  Pr3  2  0.3061  0.7500  0.7330  1
  Pr  Pr4  2  0.3867  0.2500  0.0332  1
  Pr  Pr5  2  0.4642  0.2500  0.5951  1
  Te  Te6  2  0.0717  0.2500  0.6810  1
  Ir  Ir7  2  0.1571  0.2500  0.0682  1
  Ir  Ir8  2  0.3133  0.7500  0.4881  1
  Ir  Ir9  2  0.4764  0.2500  0.8300  1
]