data_[Tb12Si4As2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0460]
_cell_length_b [4.1281]
_cell_length_c [8.3061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Si2AsSe3]
_chemical_formula_sum '[Tb12 Si4 As2 Se6]'
_cell_volume [601.8018]
_cell_formula_units_Z [2]
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  0.0049  0.0000  0.2459  1.0
  Tb  Tb1  4  0.1652  0.5000  0.0942  1.0
  Tb  Tb2  4  0.1697  0.5000  0.5758  1.0
  Si  Si3  4  0.1666  0.0000  0.3332  1.0
  As  As4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1653  0.0000  0.8342  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]