data_[Ce8P2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3028]
_cell_length_b [4.2133]
_cell_length_c [9.0299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4PI5]
_chemical_formula_sum '[Ce8 P2 I10]'
_cell_volume [716.0481]
_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
[
  Ce  Ce0  4  0.0016  0.0000  0.7905  1
  Ce  Ce1  4  0.1482  0.5000  0.0718  1
  P  P2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1663  0.0000  0.3428  1
  I  I4  4  0.1721  0.0000  0.8162  1
  I  I5  2  0.0000  0.5000  0.5000  1
]