data_[Tm1Ni6Ge4]
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 [P-6m2]
_cell_length_a [6.8141]
_cell_length_b [6.8141]
_cell_length_c [3.7160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tm(Ni3Ge2)2]
_chemical_formula_sum '[Tm1 Ni6 Ge4]'
_cell_volume [149.4242]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  3  0.2042  0.4085  0.5000  1.0
  Ni  Ni2  3  0.5366  0.0731  0.0000  1.0
  Ge  Ge3  3  0.3803  0.1902  0.5000  1.0
  Ge  Ge4  1  0.3333  0.6667  0.0000  1.0
]