data_[Tb1Sc1Ir1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3409]
_cell_length_b [3.3409]
_cell_length_c [6.5802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TbScIrRu]
_chemical_formula_sum '[Tb1 Sc1 Ir1 Ru1]'
_cell_volume [73.4438]
_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  0.5000  0.5000  0.1098  1.0
  Sc  Sc1  1  0.5000  0.5000  0.6046  1.0
  Ru  Ru2  1  0.0000  0.0000  0.3721  1.0
  Ir  Ir3  1  0.0000  0.0000  0.8415  1.0
]