data_[Mg2In2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5922]
_cell_length_b [5.4422]
_cell_length_c [6.0811]
_cell_angle_alpha [109.6700]
_cell_angle_beta [92.0227]
_cell_angle_gamma [110.2059]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgInGa]
_chemical_formula_sum '[Mg2 In2 Ga2]'
_cell_volume [132.3115]
_cell_formula_units_Z [2]
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  1  0.0543  0.4774  0.0097  1.0
  Mg  Mg1  1  0.3483  0.0741  0.6171  1.0
  In  In2  1  0.3901  0.1515  0.1476  1.0
  In  In3  1  0.6957  0.7612  0.7887  1.0
  Ga  Ga4  1  0.0306  0.4202  0.4933  1.0
  Ga  Ga5  1  0.7161  0.8013  0.3052  1.0
]