data_[Mg12In4Ga28]
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 [Cmcm]
_cell_length_a [4.3439]
_cell_length_b [20.5163]
_cell_length_c [10.0155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mg3InGa7]
_chemical_formula_sum '[Mg12 In4 Ga28]'
_cell_volume [892.5860]
_cell_formula_units_Z [4]
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  8  0.0000  0.0672  0.5841  1
  Mg  Mg1  4  0.0000  0.2320  0.2500  1
  In  In2  4  0.0000  0.0929  0.2500  1
  Ga  Ga3  8  0.0000  0.2071  0.6025  1
  Ga  Ga4  8  0.0000  0.3374  0.5435  1
  Ga  Ga5  8  0.0000  0.4682  0.6119  1
  Ga  Ga6  4  0.0000  0.3764  0.2500  1
]