data_[Mg2Al2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3200]
_cell_length_b [4.9784]
_cell_length_c [5.8806]
_cell_angle_alpha [74.8530]
_cell_angle_beta [89.8795]
_cell_angle_gamma [65.8065]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgAlGa]
_chemical_formula_sum '[Mg2 Al2 Ga2]'
_cell_volume [110.5611]
_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  0.1353  0.2106  0.0067  1.0
  Mg  Mg1  1  0.8168  0.8474  0.3390  1.0
  Al  Al2  1  0.4818  0.5189  0.6681  1.0
  Al  Al3  1  0.8072  0.8685  0.8285  1.0
  Ga  Ga4  1  0.1510  0.1795  0.5197  1.0
  Ga  Ga5  1  0.4670  0.5468  0.1507  1.0
]