data_[Tb3Sn7Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6864]
_cell_length_b [4.5678]
_cell_length_c [14.0846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb3Sn7Ru2]
_chemical_formula_sum '[Tb3 Sn7 Ru2]'
_cell_volume [297.3442]
_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  0.1792  0.0000  0.3634  1.0
  Tb  Tb1  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.0885  0.5000  0.1736  1.0
  Sn  Sn3  2  0.2801  0.5000  0.5597  1.0
  Sn  Sn4  2  0.4159  0.0000  0.8301  1.0
  Sn  Sn5  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru6  2  0.3691  0.5000  0.7434  1.0
]