data_[Tm8Co16B16Ir4]
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
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.0385]
_cell_length_b [9.3559]
_cell_length_c [11.0028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tm2Co4B4Ir]
_chemical_formula_sum '[Tm8 Co16 B16 Ir4]'
_cell_volume [518.6697]
_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  8  0.0000  0.0000  0.3557  1
  Co  Co1  8  0.2500  0.2500  0.0000  1
  Co  Co2  8  0.2500  0.2500  0.2500  1
  B  B3  16  0.0000  0.1659  0.1332  1
  Ir  Ir4  4  0.0000  0.0000  0.0000  1
]