data_[Tm1Cu6Ge2]
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 [P4/mmm]
_cell_length_a [4.0445]
_cell_length_b [4.0445]
_cell_length_c [8.1004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tm(Cu3Ge)2]
_chemical_formula_sum '[Tm1 Cu6 Ge2]'
_cell_volume [132.5090]
_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
  Cu  Cu1  4  0.0000  0.5000  0.3137  1
  Cu  Cu2  1  0.0000  0.0000  0.5000  1
  Cu  Cu3  1  0.5000  0.5000  0.5000  1
  Ge  Ge4  2  0.5000  0.5000  0.1517  1
]