data_[Tb4Ag8As4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5424]
_cell_length_b [7.9070]
_cell_length_c [11.0862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [TbAg2AsS4]
_chemical_formula_sum '[Tb4 Ag8 As4 S16]'
_cell_volume [661.1488]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.5000  1
  Ag  Ag1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.2500  0.2500  0.7500  1
  As  As3  4  0.2500  0.2500  0.2500  1
  S  S4  8  0.0000  0.0159  0.2516  1
  S  S5  8  0.2498  0.2500  0.4866  1
]