data_[Tm8Cu4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4349]
_cell_length_b [4.2030]
_cell_length_c [10.0600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2CuGe2]
_chemical_formula_sum '[Tm8 Cu4 Ge8]'
_cell_volume [390.5988]
_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  0.0053  0.0000  0.3280  1.0
  Tm  Tm1  4  0.1868  0.0000  0.1023  1.0
  Cu  Cu2  4  0.2204  0.5000  0.3502  1.0
  Ge  Ge3  4  0.0244  0.5000  0.8835  1.0
  Ge  Ge4  4  0.1457  0.5000  0.5687  1.0
]