data_[Tm16Te4Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.5681]
_cell_length_b [15.1153]
_cell_length_c [4.7561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tm8Te2Ir3]
_chemical_formula_sum '[Tm16 Te4 Ir6]'
_cell_volume [687.8540]
_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
[
  Tm  Tm0  8  0.2468  0.1079  0.5000  1
  Tm  Tm1  4  0.0000  0.1118  0.0000  1
  Tm  Tm2  4  0.0000  0.3953  0.0000  1
  Te  Te3  4  0.0000  0.2570  0.5000  1
  Ir  Ir4  4  0.2481  0.0000  0.0000  1
  Ir  Ir5  2  0.0000  0.0000  0.5000  1
]