data_[Tb8S10F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8552]
_cell_length_b [7.2511]
_cell_length_c [16.8770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb4S5F]
_chemical_formula_sum '[Tb8 S10 F2]'
_cell_volume [471.7859]
_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
[
  Tb  Tb0  4  0.0000  0.2519  0.0000  1
  Tb  Tb1  4  0.0000  0.5000  0.2786  1
  S  S2  8  0.0000  0.2338  0.1616  1
  S  S3  2  0.0000  0.0000  0.5000  1
  F  F4  2  0.0000  0.5000  0.5000  1
]