data_[Tm12Ge2Sb6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  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 [7.2753]
_cell_length_b [12.5892]
_cell_length_c [7.2875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6GeSb3Se2]
_chemical_formula_sum '[Tm12 Ge2 Sb6 Se4]'
_cell_volume [630.0780]
_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  8  0.2405  0.1619  0.2360  1.0
  Tm  Tm1  4  0.2439  0.0000  0.7611  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.1706  0.5000  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  Se  Se5  4  0.0000  0.3345  0.0000  1.0
]