data_[Tm4Sb8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2551]
_cell_length_b [13.3144]
_cell_length_c [13.4346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm(SbSe2)2]
_chemical_formula_sum '[Tm4 Sb8 Se16]'
_cell_volume [761.1219]
_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  4  0.0000  0.3762  0.2500  1
  Sb  Sb1  8  0.0000  0.1250  0.0619  1
  Se  Se2  8  0.0000  0.2218  0.6240  1
  Se  Se3  4  0.0000  0.0168  0.2500  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]