data_[Tb4Sb1Te1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3379]
_cell_length_b [4.2326]
_cell_length_c [7.3900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4SbTeSe2]
_chemical_formula_sum '[Tb4 Sb1 Te1 Se2]'
_cell_volume [216.8517]
_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  0.2499  0.5000  0.2292  1.0
  Tb  Tb1  2  0.2666  0.0000  0.7773  1.0
  Sb  Sb2  1  0.5000  0.0000  0.5000  1.0
  Te  Te3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  1  0.0000  0.0000  0.0000  1.0
  Se  Se5  1  0.5000  0.5000  0.0000  1.0
]