data_[Tm12Sb6As4Se2]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2898]
_cell_length_b [4.1880]
_cell_length_c [8.4227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Sb3As2Se]
_chemical_formula_sum '[Tm12 Sb6 As4 Se2]'
_cell_volume [626.9436]
_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  0.0052  0.0000  0.2478  1.0
  Tm  Tm1  4  0.1663  0.5000  0.0959  1.0
  Tm  Tm2  4  0.1709  0.5000  0.5729  1.0
  Sb  Sb3  4  0.1645  0.0000  0.8333  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.1666  0.0000  0.3321  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]