data_[Na2Ce2Cu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4087]
_cell_length_b [4.0811]
_cell_length_c [8.9184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCeCuS3]
_chemical_formula_sum '[Na2 Ce2 Cu2 S6]'
_cell_volume [299.4624]
_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
[
  Na  Na0  2  0.1839  0.2500  0.2267  1.0
  Ce  Ce1  2  0.3241  0.7500  0.8262  1.0
  Cu  Cu2  2  0.0831  0.2500  0.5872  1.0
  S  S3  2  0.1052  0.2500  0.8569  1.0
  S  S4  2  0.2090  0.7500  0.5138  1.0
  S  S5  2  0.4355  0.7500  0.1567  1.0
]