data_[Mg6Ga6]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7882]
_cell_length_b [9.4024]
_cell_length_c [5.2803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgGa]
_chemical_formula_sum '[Mg6 Ga6]'
_cell_volume [237.7239]
_cell_formula_units_Z [6]
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  0.5000  0.1697  0.1580  1.0
  Mg  Mg1  2  0.0000  0.0000  0.3432  1.0
  Ga  Ga2  4  0.0000  0.1665  0.8388  1.0
  Ga  Ga3  2  0.5000  0.0000  0.6632  1.0
]