data_[Cu10Ni12Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Immm]
_cell_length_a [3.6776]
_cell_length_b [6.8384]
_cell_length_c [10.9432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cu5Ni6Ge]
_chemical_formula_sum '[Cu10 Ni12 Ge2]'
_cell_volume [275.2082]
_cell_formula_units_Z [2]
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
[
  Cu  Cu0  4  0.0000  0.0000  0.3383  1
  Cu  Cu1  4  0.0000  0.5000  0.3230  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
  Ni  Ni3  8  0.0000  0.2440  0.1653  1
  Ni  Ni4  4  0.0000  0.2618  0.5000  1
  Ge  Ge5  2  0.0000  0.0000  0.0000  1
]