data_[Mg4Ga16Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.6975]
_cell_length_b [3.9150]
_cell_length_c [7.0253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mg(Ga2Ni)2]
_chemical_formula_sum '[Mg4 Ga16 Ni8]'
_cell_volume [431.7415]
_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  0.1474  0.7500  0.5877  1
  Ga  Ga1  4  0.0309  0.2500  0.3822  1
  Ga  Ga2  4  0.0663  0.7500  0.9908  1
  Ga  Ga3  4  0.1883  0.2500  0.2857  1
  Ga  Ga4  4  0.1899  0.2500  0.8897  1
  Ni  Ni5  4  0.0457  0.2500  0.7575  1
  Ni  Ni6  4  0.2248  0.7500  0.0918  1
]