data_[Ce2Sm2I2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3770]
_cell_length_b [4.2097]
_cell_length_c [8.1379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSmIN2]
_chemical_formula_sum '[Ce2 Sm2 I2 N4]'
_cell_volume [243.0880]
_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  0.3605  0.2500  0.0925  1
  Sm  Sm1  2  0.3562  0.2500  0.5891  1
  I  I2  2  0.0371  0.7500  0.7499  1
  N  N3  2  0.4817  0.7500  0.1119  1
  N  N4  2  0.4962  0.2500  0.3648  1
]