data_[Mg10Al2Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2383]
_cell_length_b [6.0996]
_cell_length_c [12.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg5AlNi6]
_chemical_formula_sum '[Mg10 Al2 Ni12]'
_cell_volume [330.0720]
_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  0.0000  0.0000  0.3359  1
  Mg  Mg1  4  0.0000  0.5000  0.3268  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Ni  Ni4  8  0.0000  0.2378  0.1597  1
  Ni  Ni5  4  0.0000  0.2729  0.5000  1
]