data_[Tb8Ru2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.5127]
_cell_length_b [11.6515]
_cell_length_c [4.0077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb4RuSe3]
_chemical_formula_sum '[Tb8 Ru2 Se6]'
_cell_volume [397.5082]
_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  0.0000  0.2301  0.5000  1
  Tb  Tb1  4  0.2327  0.0000  0.0000  1
  Ru  Ru2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.2500  0.2500  0.0000  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
]