data_[Mg21In36Ga3]
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 [R-3]
_cell_length_a [13.4083]
_cell_length_b [13.4083]
_cell_length_c [9.6275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg7In12Ga]
_chemical_formula_sum '[Mg21 In36 Ga3]'
_cell_volume [1498.9593]
_cell_formula_units_Z [3]
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  18  0.0639  0.2448  0.9288  1.0
  Mg  Mg1  3  0.0000  0.0000  0.5000  1.0
  In  In2  18  0.0382  0.2457  0.5784  1.0
  In  In3  18  0.0389  0.1894  0.2482  1.0
  Ga  Ga4  3  0.0000  0.0000  0.0000  1.0
]