data_[Mg12Ga12Ni8]
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 [Cmcm]
_cell_length_a [4.1053]
_cell_length_b [9.6346]
_cell_length_c [13.6357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mg3Ga3Ni2]
_chemical_formula_sum '[Mg12 Ga12 Ni8]'
_cell_volume [539.3265]
_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  0.0000  0.0731  0.6116  1.0
  Mg  Mg1  4  0.0000  0.3568  0.7500  1.0
  Ga  Ga2  8  0.0000  0.3678  0.5391  1.0
  Ga  Ga3  4  0.0000  0.3514  0.2500  1.0
  Ni  Ni4  8  0.0000  0.2113  0.1055  1.0
]