data_[Tb2As2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9137]
_cell_length_b [7.0449]
_cell_length_c [7.9005]
_cell_angle_alpha [86.7893]
_cell_angle_beta [87.2076]
_cell_angle_gamma [80.1800]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbAsSe4]
_chemical_formula_sum '[Tb2 As2 Se8]'
_cell_volume [378.2656]
_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  2  0.2023  0.7036  0.0598  1.0
  As  As1  2  0.3144  0.2617  0.8092  1.0
  Se  Se2  2  0.0662  0.5325  0.7570  1.0
  Se  Se3  2  0.1216  0.0167  0.7827  1.0
  Se  Se4  2  0.3980  0.2808  0.0941  1.0
  Se  Se5  2  0.4003  0.7642  0.3588  1.0
]