data_[Mg16Cu4Ni2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0527]
_cell_length_b [4.5163]
_cell_length_c [6.4756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8Cu2Ni]
_chemical_formula_sum '[Mg16 Cu4 Ni2]'
_cell_volume [408.0076]
_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
[
  Mg  Mg0  4  0.0238  0.0000  0.7846  1
  Mg  Mg1  4  0.0996  0.5000  0.4384  1
  Mg  Mg2  4  0.1645  0.5000  0.9383  1
  Mg  Mg3  4  0.1884  0.0000  0.2704  1
  Cu  Cu4  4  0.1820  0.0000  0.6794  1
  Ni  Ni5  2  0.0000  0.5000  0.0000  1
]