data_[Mg36Ga18Sn3]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.3547]
_cell_length_b [13.3547]
_cell_length_c [7.6110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg12Ga6Sn]
_chemical_formula_sum '[Mg36 Ga18 Sn3]'
_cell_volume [1175.5482]
_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  0.0061  0.1392  0.6615  1
  Mg  Mg1  18  0.0632  0.5629  0.6716  1
  Ga  Ga2  18  0.0260  0.2754  0.3322  1
  Sn  Sn3  3  0.0000  0.0000  0.0000  1
]