data_[Tm6Cu14Ge8]
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 [15.0676]
_cell_length_b [4.1199]
_cell_length_c [9.0953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3Cu7Ge4]
_chemical_formula_sum '[Tm6 Cu14 Ge8]'
_cell_volume [452.4908]
_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  0.1958  0.5000  0.1943  1
  Tm  Tm1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  4  0.0035  0.5000  0.8121  1
  Cu  Cu3  4  0.1396  0.0000  0.9114  1
  Cu  Cu4  4  0.1676  0.5000  0.5219  1
  Cu  Cu5  2  0.0000  0.0000  0.0000  1
  Ge  Ge6  4  0.1241  0.0000  0.3420  1
  Ge  Ge7  4  0.1598  0.5000  0.7859  1
]