data_[Ti8As8Ir4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.2356]
_cell_length_b [4.1777]
_cell_length_c [13.8525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ti2As2IrRh]
_chemical_formula_sum '[Ti8 As8 Ir4 Rh4]'
_cell_volume [412.3408]
_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
[
  Ti  Ti0  1  0.0614  0.5000  0.6880  1
  Ti  Ti1  1  0.0626  0.0000  0.1883  1
  Ti  Ti2  1  0.3123  0.5000  0.4365  1
  Ti  Ti3  1  0.3139  0.0000  0.9380  1
  Ti  Ti4  1  0.5628  0.5000  0.1876  1
  Ti  Ti5  1  0.5640  0.0000  0.6881  1
  Ti  Ti6  1  0.8112  0.5000  0.9372  1
  Ti  Ti7  1  0.8120  0.0000  0.4364  1
  As  As8  1  0.1873  0.0000  0.5625  1
  As  As9  1  0.1886  0.5000  0.0628  1
  As  As10  1  0.4372  0.0000  0.3118  1
  As  As11  1  0.4387  0.5000  0.8131  1
  As  As12  1  0.6865  0.0000  0.0626  1
  As  As13  1  0.6878  0.5000  0.5630  1
  As  As14  1  0.9364  0.0000  0.8123  1
  As  As15  1  0.9373  0.5000  0.3118  1
  Ir  Ir16  1  0.0003  0.5000  0.5001  1
  Ir  Ir17  1  0.0003  0.0000  0.0003  1
  Ir  Ir18  1  0.2505  0.0000  0.7500  1
  Ir  Ir19  1  0.4999  0.0000  0.5003  1
  Rh  Rh20  1  0.2502  0.5000  0.2493  1
  Rh  Rh21  1  0.4999  0.5000  0.0004  1
  Rh  Rh22  1  0.7494  0.0000  0.2494  1
  Rh  Rh23  1  0.7496  0.5000  0.7501  1
]