data_[Ce2Pm2I10]
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 [P2_1/m]
_cell_length_a [9.3441]
_cell_length_b [4.3224]
_cell_length_c [14.9912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CePmI5]
_chemical_formula_sum '[Ce2 Pm2 I10]'
_cell_volume [603.8440]
_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  0.0980  0.2500  0.1502  1
  Pm  Pm1  2  0.4155  0.7500  0.3440  1
  I  I2  2  0.0693  0.7500  0.3107  1
  I  I3  2  0.1414  0.2500  0.9289  1
  I  I4  2  0.3203  0.2500  0.4848  1
  I  I5  2  0.3511  0.7500  0.1294  1
  I  I6  2  0.3651  0.7500  0.7120  1
]