data_[Tm12Ga4Ge2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4913]
_cell_length_b [4.0559]
_cell_length_c [8.1696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Ga2GeSe3]
_chemical_formula_sum '[Tm12 Ga4 Ge2 Se6]'
_cell_volume [564.4819]
_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  0.0103  0.0000  0.2464  1.0
  Tm  Tm1  4  0.1588  0.5000  0.6432  1.0
  Tm  Tm2  4  0.1659  0.5000  0.1402  1.0
  Ga  Ga3  4  0.1973  0.0000  0.4270  1.0
  Ge  Ge4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1628  0.0000  0.8843  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]