data_[Tm6Tl2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.7306]
_cell_length_b [6.8008]
_cell_length_c [8.3084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tm3TlPt]
_chemical_formula_sum '[Tm6 Tl2 Pt2]'
_cell_volume [267.2979]
_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  0.0000  0.2531  0.3393  1.0
  Tm  Tm1  2  0.0000  0.0000  0.9363  1.0
  Tl  Tl2  2  0.0000  0.5000  0.8292  1.0
  Pt  Pt3  2  0.0000  0.0000  0.6046  1.0
]