data_[Na4Tb4Ce2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9970]
_cell_length_b [12.1021]
_cell_length_c [7.1021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tb2CeS6]
_chemical_formula_sum '[Na4 Tb4 Ce2 S12]'
_cell_volume [568.4119]
_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  4  0.0000  0.1684  0.0000  1.0
  Tb  Tb1  4  0.0000  0.3343  0.5000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2365  0.1675  0.7209  1.0
  S  S4  4  0.2474  0.5000  0.7210  1.0
]