data_[Ce1Pm1Se2I2]
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
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.0218]
_cell_length_b [5.0218]
_cell_length_c [7.8317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CePm(SeI)2]
_chemical_formula_sum '[Ce1 Pm1 Se2 I2]'
_cell_volume [197.5026]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.1991  1
  Pm  Pm1  1  0.0000  0.0000  0.8049  1
  Se  Se2  2  0.0000  0.5000  0.9952  1
  I  I3  1  0.0000  0.0000  0.3875  1
  I  I4  1  0.5000  0.5000  0.6181  1
]