data_[Tm16Ag8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.8974]
_cell_length_b [9.4961]
_cell_length_c [8.3971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.1589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tm4Ag2Ir]
_chemical_formula_sum '[Tm16 Ag8 Ir4]'
_cell_volume [680.5980]
_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
[
  Tm  Tm0  4  0.0480  0.0166  0.3409  1.0
  Tm  Tm1  4  0.0715  0.6723  0.2662  1.0
  Tm  Tm2  4  0.1969  0.4976  0.7549  1.0
  Tm  Tm3  4  0.1993  0.3448  0.1398  1.0
  Ag  Ag4  4  0.0875  0.3325  0.3697  1.0
  Ag  Ag5  4  0.2265  0.1793  0.8331  1.0
  Ir  Ir6  2  0.0000  0.7628  0.5000  1.0
  Ir  Ir7  2  0.0000  0.9038  0.0000  1.0
]