data_[Mg8Cu4Ni4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [Ibam]
_cell_length_a [5.6239]
_cell_length_b [12.3195]
_cell_length_c [5.5954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Mg2CuNiGe2]
_chemical_formula_sum '[Mg8 Cu4 Ni4 Ge8]'
_cell_volume [387.6665]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  8  0.2453  0.1596  0.0000  1.0
  Cu  Cu1  4  0.0000  0.0000  0.2500  1.0
  Ni  Ni2  4  0.0000  0.5000  0.2500  1.0
  Ge  Ge3  8  0.2378  0.3819  0.0000  1.0
]