data_[Tm48Pt16Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.3383]
_cell_length_b [11.5127]
_cell_length_c [23.9194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Tm3PtSe2]
_chemical_formula_sum '[Tm48 Pt16 Se32]'
_cell_volume [2296.1800]
_cell_formula_units_Z [16]
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  32  0.0081  0.2399  0.0873  1
  Tm  Tm1  16  0.0155  0.2500  0.2500  1
  Pt  Pt2  16  0.0000  0.0000  0.0832  1
  Se  Se3  16  0.0000  0.0000  0.2532  1
  Se  Se4  16  0.0000  0.0000  0.4199  1
]