data_[Mg4Zn12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.8821]
_cell_length_b [4.8821]
_cell_length_c [16.3925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [MgZn3Ni]
_chemical_formula_sum '[Mg4 Zn12 Ni4]'
_cell_volume [390.7074]
_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  4  0.0000  0.0000  0.2093  1
  Zn  Zn1  8  0.0000  0.2493  0.6250  1
  Zn  Zn2  4  0.0000  0.5000  0.0288  1
  Ni  Ni3  2  0.0000  0.0000  0.5000  1
  Ni  Ni4  2  0.0000  0.5000  0.7500  1
]