data_[Rb4P4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.8219]
_cell_length_b [4.8556]
_cell_length_c [6.6435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbPIr2]
_chemical_formula_sum '[Rb4 P4 Ir8]'
_cell_volume [409.9478]
_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
[
  Rb  Rb0  2  0.0000  0.0974  0.5000  1
  Rb  Rb1  2  0.0000  0.6613  0.0000  1
  P  P2  4  0.2304  0.4567  0.6925  1
  Ir  Ir3  4  0.2264  0.2105  0.9683  1
  Ir  Ir4  4  0.2416  0.4079  0.3651  1
]