data_[Li2Tb1Ce1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2/m]
_cell_length_a [6.5931]
_cell_length_b [3.9944]
_cell_length_c [6.9189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2TbCeS4]
_chemical_formula_sum '[Li2 Tb1 Ce1 S4]'
_cell_volume [170.7500]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.5000  0.0000  0.5000  1
  Li  Li1  1  0.5000  0.5000  0.0000  1
  Tb  Tb2  1  0.0000  0.0000  0.0000  1
  Ce  Ce3  1  0.0000  0.5000  0.5000  1
  S  S4  2  0.2526  0.5000  0.2453  1
  S  S5  2  0.2554  0.0000  0.7576  1
]