data_[Ce2Tm8S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [12.9003]
_cell_length_b [3.7913]
_cell_length_c [11.6320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeTm4S7]
_chemical_formula_sum '[Ce2 Tm8 S14]'
_cell_volume [550.3105]
_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
[
  Ce  Ce0  2  0.1129  0.0000  0.4211  1.0
  Tm  Tm1  2  0.1984  0.5000  0.8128  1.0
  Tm  Tm2  2  0.3010  0.0000  0.1864  1.0
  Tm  Tm3  2  0.3858  0.5000  0.5813  1.0
  Tm  Tm4  2  0.4997  0.5000  0.9977  1.0
  S  S5  2  0.0419  0.0000  0.7854  1.0
  S  S6  2  0.1579  0.5000  0.0499  1.0
  S  S7  2  0.2494  0.5000  0.3486  1.0
  S  S8  2  0.2631  0.0000  0.6549  1.0
  S  S9  2  0.3405  0.0000  0.9491  1.0
  S  S10  2  0.4550  0.5000  0.2080  1.0
  S  S11  2  0.4945  0.0000  0.5048  1.0
]