data_[Tm16Si4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9665]
_cell_length_b [12.8620]
_cell_length_c [13.3719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm4SiSe2]
_chemical_formula_sum '[Tm16 Si4 Se8]'
_cell_volume [682.2042]
_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  0.2172  0.6294  1.0
  Tm  Tm1  4  0.0000  0.0504  0.2500  1.0
  Tm  Tm2  4  0.0000  0.5000  0.0000  1.0
  Si  Si3  4  0.0000  0.3949  0.2500  1.0
  Se  Se4  8  0.0000  0.1407  0.0625  1.0
]