data_[Tb8P16Ir20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.4397]
_cell_length_b [9.7035]
_cell_length_c [14.2235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tb2P4Ir5]
_chemical_formula_sum '[Tb8 P16 Ir20]'
_cell_volume [750.7786]
_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  8  0.0000  0.0000  0.1320  1
  P  P1  16  0.0000  0.1596  0.3716  1
  Ir  Ir2  8  0.2500  0.2500  0.0000  1
  Ir  Ir3  8  0.2500  0.2500  0.2500  1
  Ir  Ir4  4  0.0000  0.0000  0.5000  1
]