data_[Tb4Te2Au1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4080]
_cell_length_b [4.1134]
_cell_length_c [7.4459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4Te2AuS]
_chemical_formula_sum '[Tb4 Te2 Au1 S1]'
_cell_volume [215.3343]
_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  0.2311  0.5000  0.2180  1
  Tb  Tb1  2  0.2579  0.0000  0.7772  1
  Te  Te2  1  0.0000  0.5000  0.5000  1
  Te  Te3  1  0.5000  0.0000  0.5000  1
  Au  Au4  1  0.5000  0.5000  0.0000  1
  S  S5  1  0.0000  0.0000  0.0000  1
]