data_[Tm16Ir2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0703]
_cell_length_b [4.9348]
_cell_length_c [6.7151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8IrPt2]
_chemical_formula_sum '[Tm16 Ir2 Pt4]'
_cell_volume [540.4272]
_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  4  0.0314  0.0000  0.7926  1
  Tm  Tm1  4  0.0931  0.5000  0.4432  1
  Tm  Tm2  4  0.1653  0.5000  0.9663  1
  Tm  Tm3  4  0.2036  0.0000  0.3106  1
  Ir  Ir4  2  0.0000  0.5000  0.0000  1
  Pt  Pt5  4  0.1860  0.0000  0.7082  1
]