data_[Tb6Tm2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6106]
_cell_length_b [6.3925]
_cell_length_c [6.1956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3TmRu]
_chemical_formula_sum '[Tb6 Tm2 Ru2]'
_cell_volume [301.4180]
_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  0.2496  0.6820  0.4253  1
  Tb  Tb1  2  0.0000  0.8439  0.9219  1
  Tm  Tm2  2  0.0000  0.1597  0.4296  1
  Ru  Ru3  2  0.0000  0.4978  0.1763  1
]