data_[Tb4C1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4545]
_cell_length_b [3.7260]
_cell_length_c [6.5735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4CS]
_chemical_formula_sum '[Tb4 C1 S1]'
_cell_volume [149.9908]
_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  2  0.2594  0.0000  0.7288  1
  Tb  Tb1  2  0.2679  0.5000  0.2845  1
  C  C2  1  0.5000  0.0000  0.5000  1
  S  S3  1  0.5000  0.5000  0.0000  1
]