data_[Tm6Al18Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5739]
_cell_length_b [4.1245]
_cell_length_c [9.9722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmAl3Pt2]
_chemical_formula_sum '[Tm6 Al18 Pt12]'
_cell_volume [647.5434]
_cell_formula_units_Z [6]
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  0.1572  0.0000  0.7048  1
  Tm  Tm1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0406  0.0000  0.3526  1
  Al  Al3  4  0.1262  0.5000  0.1996  1
  Al  Al4  4  0.1760  0.5000  0.9643  1
  Al  Al5  4  0.2141  0.0000  0.3917  1
  Al  Al6  2  0.0000  0.5000  0.5000  1
  Pt  Pt7  4  0.0285  0.5000  0.7843  1
  Pt  Pt8  4  0.1390  0.5000  0.4558  1
  Pt  Pt9  4  0.1970  0.0000  0.1303  1
]