data_[Tb4Bi2As1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3369]
_cell_length_b [4.2460]
_cell_length_c [7.4637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4Bi2AsS]
_chemical_formula_sum '[Tb4 Bi2 As1 S1]'
_cell_volume [219.6553]
_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  0.2404  0.0000  0.7235  1.0
  Tb  Tb1  2  0.2581  0.5000  0.2759  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  1  0.5000  0.5000  0.0000  1.0
  As  As4  1  0.5000  0.0000  0.5000  1.0
  S  S5  1  0.0000  0.5000  0.5000  1.0
]