data_[Ce6C2Se2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9329]
_cell_length_b [3.6924]
_cell_length_c [10.3001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce3CSeCl]
_chemical_formula_sum '[Ce6 C2 Se2 Cl2]'
_cell_volume [291.5157]
_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  0.1251  0.7500  0.9007  1
  Ce  Ce1  2  0.2630  0.2500  0.4413  1
  Ce  Ce2  2  0.4864  0.2500  0.1500  1
  Se  Se3  2  0.1966  0.7500  0.2020  1
  C  C4  2  0.3337  0.2500  0.9224  1
  Cl  Cl5  2  0.1487  0.7500  0.6218  1
]