data_[Tm8Sn2Sb4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.1315]
_cell_length_b [6.1315]
_cell_length_c [12.2835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Tm4SnSb2Te]
_chemical_formula_sum '[Tm8 Sn2 Sb4 Te2]'
_cell_volume [461.8010]
_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  0.0000  0.0000  0.2532  1.0
  Tm  Tm1  4  0.0000  0.5000  0.0012  1.0
  Sn  Sn2  2  0.0000  0.5000  0.2500  1.0
  Sb  Sb3  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb4  2  0.0000  0.5000  0.7500  1.0
  Te  Te5  2  0.0000  0.0000  0.0000  1.0
]