data_[Li1Ce1Tm2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7353]
_cell_length_b [3.8844]
_cell_length_c [6.7948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiCe(TmS2)2]
_chemical_formula_sum '[Li1 Ce1 Tm2 S4]'
_cell_volume [167.8541]
_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  0.5000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  1  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.2543  0.0000  0.7437  1.0
  S  S5  2  0.2622  0.5000  0.2598  1.0
]