data_[Mg36Zn18Ga3]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.4388]
_cell_length_b [12.4388]
_cell_length_c [8.8195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg12Zn6Ga]
_chemical_formula_sum '[Mg36 Zn18 Ga3]'
_cell_volume [1181.7590]
_cell_formula_units_Z [3]
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  18  0.0472  0.2406  0.0718  1
  Mg  Mg1  18  0.0627  0.2264  0.4163  1
  Zn  Zn2  18  0.0582  0.2225  0.7474  1
  Ga  Ga3  3  0.0000  0.0000  0.0000  1
]