data_[Tm2Th2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4905]
_cell_length_b [7.0060]
_cell_length_c [7.9392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TmThPt2]
_chemical_formula_sum '[Tm2 Th2 Pt4]'
_cell_volume [194.1508]
_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  0.5000  0.0000  0.5161  1
  Th  Th1  2  0.0000  0.0000  0.0920  1
  Pt  Pt2  4  0.5000  0.2076  0.8035  1
]