data_[Tb4Sn1Bi1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3951]
_cell_length_b [4.3027]
_cell_length_c [7.4458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4SnBiSe2]
_chemical_formula_sum '[Tb4 Sn1 Bi1 Se2]'
_cell_volume [223.3692]
_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  0.2583  0.5000  0.2476  1.0
  Tb  Tb1  2  0.2622  0.0000  0.7608  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  1  0.5000  0.0000  0.5000  1.0
  Se  Se5  1  0.5000  0.5000  0.0000  1.0
]