data_[Tb1Sc1S2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9343]
_cell_length_b [5.2497]
_cell_length_c [8.9562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TbSc(SBr)2]
_chemical_formula_sum '[Tb1 Sc1 S2 Br2]'
_cell_volume [184.9806]
_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  0.5000  0.5000  0.8743  1
  Sc  Sc1  1  0.0000  0.0000  0.1244  1
  S  S2  1  0.0000  0.5000  0.0876  1
  S  S3  1  0.5000  0.0000  0.9347  1
  Br  Br4  1  0.0000  0.5000  0.6482  1
  Br  Br5  1  0.5000  0.0000  0.3307  1
]