data_[Tb4Te1As1S2]
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
  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 [7.0918]
_cell_length_b [4.0676]
_cell_length_c [7.1411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4TeAsS2]
_chemical_formula_sum '[Tb4 Te1 As1 S2]'
_cell_volume [194.9193]
_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  0.2198  0.0000  0.7206  1.0
  Tb  Tb1  2  0.2357  0.5000  0.2634  1.0
  Te  Te2  1  0.5000  0.5000  0.0000  1.0
  As  As3  1  0.5000  0.0000  0.5000  1.0
  S  S4  1  0.0000  0.0000  0.0000  1.0
  S  S5  1  0.0000  0.5000  0.5000  1.0
]