data_[Tb4Ni1Se1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9661]
_cell_length_b [3.9199]
_cell_length_c [6.9872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4NiSeS2]
_chemical_formula_sum '[Tb4 Ni1 Se1 S2]'
_cell_volume [180.4166]
_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  0.2436  0.0000  0.7361  1.0
  Tb  Tb1  2  0.2578  0.5000  0.2618  1.0
  Ni  Ni2  1  0.0000  0.5000  0.5000  1.0
  Se  Se3  1  0.0000  0.0000  0.0000  1.0
  S  S4  1  0.5000  0.0000  0.5000  1.0
  S  S5  1  0.5000  0.5000  0.0000  1.0
]