data_[Tb4Si3Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8335]
_cell_length_b [4.2898]
_cell_length_c [10.7119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb4Si3Ru]
_chemical_formula_sum '[Tb4 Si3 Ru1]'
_cell_volume [176.1521]
_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  1  0.0000  0.0000  0.8640  1.0
  Tb  Tb1  1  0.0000  0.5000  0.3593  1.0
  Tb  Tb2  1  0.5000  0.0000  0.1420  1.0
  Tb  Tb3  1  0.5000  0.5000  0.6430  1.0
  Si  Si4  1  0.0000  0.0000  0.5690  1.0
  Si  Si5  1  0.0000  0.5000  0.0718  1.0
  Si  Si6  1  0.5000  0.0000  0.4238  1.0
  Ru  Ru7  1  0.5000  0.5000  0.9272  1.0
]