data_[Tm12Si4Sb2Se6]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8920]
_cell_length_b [4.1087]
_cell_length_c [8.2578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Si2SbSe3]
_chemical_formula_sum '[Tm12 Si4 Sb2 Se6]'
_cell_volume [591.5781]
_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  4  0.0070  0.0000  0.2613  1.0
  Tm  Tm1  4  0.1711  0.5000  0.1033  1.0
  Tm  Tm2  4  0.1715  0.5000  0.5750  1.0
  Si  Si3  4  0.1673  0.0000  0.3356  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1641  0.0000  0.8343  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]