data_[Tb2Y6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.1112]
_cell_length_b [8.1021]
_cell_length_c [7.1087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TbY3Se4]
_chemical_formula_sum '[Tb2 Y6 Se8]'
_cell_volume [386.5471]
_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  0.0000  0.1247  0.2500  1
  Y  Y1  2  0.0000  0.3744  0.7500  1
  Y  Y2  2  0.5000  0.1248  0.7500  1
  Y  Y3  2  0.5000  0.3746  0.2500  1
  Se  Se4  4  0.2502  0.3755  0.5002  1
  Se  Se5  4  0.2507  0.1252  0.0001  1
]