data_[Li4Ce4Tm4S16]
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 [Imma]
_cell_length_a [7.7803]
_cell_length_b [8.1549]
_cell_length_c [11.1488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiCeTmS4]
_chemical_formula_sum '[Li4 Ce4 Tm4 S16]'
_cell_volume [707.3582]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.6340  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  4  0.2500  0.2500  0.2500  1.0
  S  S3  8  0.0000  0.0192  0.2432  1.0
  S  S4  8  0.2363  0.2500  0.0072  1.0
]