data_[Tm12Sn2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9338]
_cell_length_b [4.0761]
_cell_length_c [12.3979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6SnTe3]
_chemical_formula_sum '[Tm12 Sn2 Te6]'
_cell_volume [584.5270]
_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  2  0.0480  0.2500  0.8728  1.0
  Tm  Tm1  2  0.1167  0.7500  0.4589  1.0
  Tm  Tm2  2  0.2105  0.2500  0.2375  1.0
  Tm  Tm3  2  0.2460  0.2500  0.7019  1.0
  Tm  Tm4  2  0.4211  0.7500  0.1213  1.0
  Tm  Tm5  2  0.4868  0.7500  0.6474  1.0
  Sn  Sn6  2  0.0448  0.7500  0.6868  1.0
  Te  Te7  2  0.1636  0.7500  0.0447  1.0
  Te  Te8  2  0.3270  0.2500  0.4885  1.0
  Te  Te9  2  0.3868  0.7500  0.8619  1.0
]