data_[Tm2Pd2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4457]
_cell_length_b [5.2729]
_cell_length_c [7.1467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmPdPt6]
_chemical_formula_sum '[Tm2 Pd2 Pt12]'
_cell_volume [303.1184]
_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  2  0.0000  0.5000  0.5000  1
  Pd  Pd1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.2027  0.2542  0.3045  1
  Pt  Pt3  4  0.1607  0.5000  0.9639  1
]