data_[Tm4Ge4Au4Se12]
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
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3584]
_cell_length_b [3.8981]
_cell_length_c [8.1891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmGeAuSe3]
_chemical_formula_sum '[Tm4 Ge4 Au4 Se12]'
_cell_volume [571.1144]
_cell_formula_units_Z [4]
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  0.1622  0.0000  0.5923  1
  Ge  Ge1  4  0.1233  0.0000  0.0781  1
  Au  Au2  4  0.0516  0.5000  0.7251  1
  Se  Se3  4  0.1752  0.5000  0.3431  1
  Se  Se4  4  0.1917  0.5000  0.8513  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]