data_[Tm2Cu3Ni1Ge4]
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
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0477]
_cell_length_b [4.0477]
_cell_length_c [10.1352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tm2Cu3NiGe4]
_chemical_formula_sum '[Tm2 Cu3 Ni1 Ge4]'
_cell_volume [166.0559]
_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  2  0.0000  0.5000  0.7392  1
  Cu  Cu1  2  0.0000  0.5000  0.1395  1
  Cu  Cu2  1  0.0000  0.0000  0.5000  1
  Ni  Ni3  1  0.5000  0.5000  0.5000  1
  Ge  Ge4  2  0.0000  0.5000  0.3711  1
  Ge  Ge5  1  0.0000  0.0000  0.0000  1
  Ge  Ge6  1  0.5000  0.5000  0.0000  1
]