data_[Tm16Pt4Se8]
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 [Cmcm]
_cell_length_a [3.8503]
_cell_length_b [12.9312]
_cell_length_c [13.8841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm4PtSe2]
_chemical_formula_sum '[Tm16 Pt4 Se8]'
_cell_volume [691.2689]
_cell_formula_units_Z [4]
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  8  0.0000  0.2088  0.6293  1
  Tm  Tm1  4  0.0000  0.0491  0.2500  1
  Tm  Tm2  4  0.0000  0.5000  0.0000  1
  Pt  Pt3  4  0.0000  0.3921  0.2500  1
  Se  Se4  8  0.0000  0.1415  0.0640  1
]