data_[Tb12Er4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9197]
_cell_length_b [3.8435]
_cell_length_c [13.2557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tb3ErRu]
_chemical_formula_sum '[Tb12 Er4 Ru4]'
_cell_volume [554.7899]
_cell_formula_units_Z [4]
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  0.0113  0.0000  0.9044  1
  Tb  Tb1  2  0.0512  0.5000  0.1482  1
  Tb  Tb2  2  0.0756  0.5000  0.5178  1
  Tb  Tb3  2  0.2166  0.0000  0.3860  1
  Tb  Tb4  2  0.2343  0.0000  0.7599  1
  Tb  Tb5  2  0.4054  0.5000  0.6241  1
  Er  Er6  2  0.2706  0.5000  0.0046  1
  Er  Er7  2  0.3847  0.5000  0.2809  1
  Ru  Ru8  2  0.0738  0.5000  0.7782  1
  Ru  Ru9  2  0.2158  0.0000  0.1373  1
]