data_[Pr12Te10Ir2]
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 [C2/m]
_cell_length_a [7.8630]
_cell_length_b [13.5346]
_cell_length_c [7.8087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Te5Ir]
_chemical_formula_sum '[Pr12 Te10 Ir2]'
_cell_volume [783.2017]
_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  8  0.2243  0.1505  0.2262  1
  Pr  Pr1  4  0.2225  0.0000  0.7634  1
  Te  Te2  4  0.0000  0.1792  0.5000  1
  Te  Te3  4  0.0000  0.3356  0.0000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Ir  Ir5  2  0.0000  0.0000  0.0000  1
]