data_[Tb6In2Ag8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7924]
_cell_length_b [8.2822]
_cell_length_c [8.1542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3In(AgSe2)4]
_chemical_formula_sum '[Tb6 In2 Ag8 Se16]'
_cell_volume [774.8225]
_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  0.2500  0.2500  0.0000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag5  2  0.0000  0.5000  0.0000  1.0
  Se  Se6  8  0.0021  0.2425  0.2594  1.0
  Se  Se7  4  0.2460  0.5000  0.2447  1.0
  Se  Se8  4  0.2491  0.5000  0.7553  1.0
]