data_[Tm12Ni8Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6920]
_cell_length_b [13.9911]
_cell_length_c [5.5493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm3Ni2Ge3]
_chemical_formula_sum '[Tm12 Ni8 Ge12]'
_cell_volume [597.2116]
_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  8  0.0367  0.6097  0.6300  1
  Tm  Tm1  4  0.1797  0.7500  0.1277  1
  Ni  Ni2  8  0.0932  0.1027  0.8801  1
  Ge  Ge3  8  0.1930  0.5404  0.1147  1
  Ge  Ge4  4  0.1753  0.2500  0.1080  1
]