data_[Pr8Au2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7732]
_cell_length_b [4.3331]
_cell_length_c [9.3231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4AuI5]
_chemical_formula_sum '[Pr8 Au2 I10]'
_cell_volume [779.6025]
_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  0.0014  0.0000  0.2192  1.0
  Pr  Pr1  4  0.1531  0.5000  0.0745  1.0
  Au  Au2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1687  0.0000  0.3384  1.0
  I  I4  4  0.1719  0.0000  0.8204  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]