data_[Ce2Pm4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1830]
_cell_length_b [11.5347]
_cell_length_c [7.3786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(PmI4)2]
_chemical_formula_sum '[Ce2 Pm4 I16]'
_cell_volume [1290.9076]
_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  2  0.0000  0.0000  0.0000  1
  Pm  Pm1  4  0.1920  0.0000  0.6422  1
  I  I2  8  0.0816  0.2014  0.7577  1
  I  I3  4  0.1241  0.5000  0.2350  1
  I  I4  4  0.1878  0.0000  0.2291  1
]