data_[Pr12Te6P2Ir4]
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
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4385]
_cell_length_b [4.3112]
_cell_length_c [8.9738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Te3PIr2]
_chemical_formula_sum '[Pr12 Te6 P2 Ir4]'
_cell_volume [721.0926]
_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  4  0.0120  0.0000  0.2354  1.0
  Pr  Pr1  4  0.1611  0.5000  0.1126  1.0
  Pr  Pr2  4  0.1755  0.5000  0.5652  1.0
  Te  Te3  4  0.1630  0.0000  0.8384  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  P  P5  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir6  4  0.1671  0.0000  0.3352  1.0
]