data_[Ce12As6S4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9243]
_cell_length_b [4.1418]
_cell_length_c [8.2193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6As3S2Cl]
_chemical_formula_sum '[Ce12 As6 S4 Cl2]'
_cell_volume [595.5941]
_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  4  0.0032  0.0000  0.2536  1.0
  Ce  Ce1  4  0.1684  0.5000  0.0918  1.0
  Ce  Ce2  4  0.1688  0.5000  0.5791  1.0
  As  As3  4  0.1649  0.0000  0.8341  1.0
  As  As4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.1673  0.0000  0.3345  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]