data_[Tb1Y3Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.3280]
_cell_length_b [4.9392]
_cell_length_c [9.8783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [TbY3Ir4]
_chemical_formula_sum '[Tb1 Y3 Ir4]'
_cell_volume [162.3761]
_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  0.0000  1
  Y  Y1  2  0.5000  0.0000  0.2504  1
  Y  Y2  1  0.5000  0.5000  0.5000  1
  Ir  Ir3  2  0.0000  0.5000  0.2499  1
  Ir  Ir4  1  0.0000  0.0000  0.0000  1
  Ir  Ir5  1  0.0000  0.0000  0.5000  1
]