data_[Tm9Co3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2841]
_cell_length_b [5.2841]
_cell_length_c [25.9693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm3CoIr8]
_chemical_formula_sum '[Tm9 Co3 Ir24]'
_cell_volume [627.9676]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0088  1
  Tm  Tm1  3  0.0000  0.0000  0.4931  1
  Tm  Tm2  3  0.0000  0.0000  0.6229  1
  Co  Co3  3  0.0000  0.0000  0.1436  1
  Ir  Ir4  9  0.0007  0.5003  0.0609  1
  Ir  Ir5  9  0.0010  0.5005  0.5597  1
  Ir  Ir6  3  0.0000  0.0000  0.3104  1
  Ir  Ir7  3  0.0000  0.0000  0.8092  1
]