data_[Pr8Hg2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7120]
_cell_length_b [4.3261]
_cell_length_c [9.4213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4HgI5]
_chemical_formula_sum '[Pr8 Hg2 I10]'
_cell_volume [785.9376]
_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  0.0016  0.0000  0.2287  1.0
  Pr  Pr1  4  0.1583  0.5000  0.0727  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1685  0.0000  0.3328  1.0
  I  I4  4  0.1701  0.0000  0.8188  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]