data_[Mg20In8Ga8]
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 [Cmce]
_cell_length_a [17.3729]
_cell_length_b [6.8619]
_cell_length_c [6.7828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Mg5(InGa)2]
_chemical_formula_sum '[Mg20 In8 Ga8]'
_cell_volume [808.5886]
_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  16  0.1213  0.1758  0.3251  1
  Mg  Mg1  4  0.0000  0.0000  0.0000  1
  In  In2  8  0.2320  0.0000  0.0000  1
  Ga  Ga3  8  0.0000  0.1334  0.6310  1
]