data_[Ce4Tm4S14]
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 [Imm2]
_cell_length_a [3.9625]
_cell_length_b [13.8562]
_cell_length_c [8.5860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ce2Tm2S7]
_chemical_formula_sum '[Ce4 Tm4 S14]'
_cell_volume [471.4161]
_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  4  0.0000  0.2600  0.4164  1.0
  Tm  Tm1  2  0.0000  0.0000  0.2083  1.0
  Tm  Tm2  2  0.0000  0.5000  0.1689  1.0
  S  S3  4  0.0000  0.1360  0.7183  1.0
  S  S4  4  0.0000  0.1842  0.1119  1.0
  S  S5  4  0.0000  0.3909  0.8929  1.0
  S  S6  2  0.0000  0.5000  0.4902  1.0
]