data_[Tb2P4Ir16]
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 [C2/m]
_cell_length_a [11.7095]
_cell_length_b [3.9514]
_cell_length_c [9.0960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(PIr4)2]
_chemical_formula_sum '[Tb2 P4 Ir16]'
_cell_volume [340.1594]
_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  2  0.0000  0.5000  0.0000  1
  P  P1  4  0.0591  0.0000  0.8059  1
  Ir  Ir2  4  0.0264  0.5000  0.3705  1
  Ir  Ir3  4  0.1556  0.0000  0.6424  1
  Ir  Ir4  4  0.1870  0.0000  0.3592  1
  Ir  Ir5  4  0.2380  0.0000  0.1007  1
]