data_[Tb1Ce1S2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8746]
_cell_length_b [3.8746]
_cell_length_c [6.9104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TbCe(SF)2]
_chemical_formula_sum '[Tb1 Ce1 S2 F2]'
_cell_volume [103.7418]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.2307  1
  Ce  Ce1  1  0.5000  0.5000  0.7707  1
  S  S2  1  0.0000  0.0000  0.6350  1
  S  S3  1  0.5000  0.5000  0.3477  1
  F  F4  2  0.0000  0.5000  0.0080  1
]