data_[Ce4Se2N2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9657]
_cell_length_b [10.8842]
_cell_length_c [7.4441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ce2SeNCl2]
_chemical_formula_sum '[Ce4 Se2 N2 Cl4]'
_cell_volume [321.3159]
_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  0.2662  0.2359  1
  Ce  Ce1  2  0.5000  0.4232  0.8649  1
  Se  Se2  2  0.0000  0.4234  0.5488  1
  N  N3  2  0.5000  0.3618  0.1621  1
  Cl  Cl4  2  0.0000  0.2223  0.8724  1
  Cl  Cl5  2  0.5000  0.1040  0.3616  1
]