data_[Tb3Y2Se4]
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 [P-3m1]
_cell_length_a [3.9954]
_cell_length_b [3.9954]
_cell_length_c [16.7682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb3(YSe2)2]
_chemical_formula_sum '[Tb3 Y2 Se4]'
_cell_volume [231.8136]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.5840  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Y  Y2  2  0.3333  0.6667  0.2076  1
  Se  Se3  2  0.0000  0.0000  0.3090  1
  Se  Se4  2  0.3333  0.6667  0.8959  1
]