data_[Tm8Ni8Ge16]
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 [Immm]
_cell_length_a [4.1313]
_cell_length_b [8.4777]
_cell_length_c [15.8233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TmNiGe2]
_chemical_formula_sum '[Tm8 Ni8 Ge16]'
_cell_volume [554.1845]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.2033  1.0
  Tm  Tm1  4  0.0000  0.2384  0.0000  1.0
  Ni  Ni2  8  0.0000  0.2497  0.6472  1.0
  Ge  Ge3  8  0.0000  0.3416  0.1978  1.0
  Ge  Ge4  4  0.0000  0.0000  0.4209  1.0
  Ge  Ge5  4  0.0000  0.5000  0.4230  1.0
]