data_[Tb8Se10S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8999]
_cell_length_b [4.0958]
_cell_length_c [8.2125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4Se5S]
_chemical_formula_sum '[Tb8 Se10 S2]'
_cell_volume [579.8424]
_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  4  0.0027  0.0000  0.2558  1
  Tb  Tb1  4  0.1766  0.5000  0.1154  1
  Se  Se2  4  0.1619  0.0000  0.3366  1
  Se  Se3  4  0.1623  0.0000  0.8565  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
  S  S5  2  0.0000  0.5000  0.0000  1
]