data_[Mg8In2Ga4]
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 [6.2300]
_cell_length_b [7.2634]
_cell_length_c [7.3214]
_cell_angle_alpha [100.6545]
_cell_angle_beta [102.2479]
_cell_angle_gamma [104.2786]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg4InGa2]
_chemical_formula_sum '[Mg8 In2 Ga4]'
_cell_volume [303.7547]
_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  0.1974  0.0573  0.5497  1
  Mg  Mg1  1  0.4019  0.4768  0.0307  1
  Mg  Mg2  1  0.4257  0.1187  0.2068  1
  Mg  Mg3  1  0.4489  0.8005  0.8088  1
  Mg  Mg4  1  0.7168  0.0850  0.5559  1
  Mg  Mg5  1  0.8375  0.6618  0.4925  1
  Mg  Mg6  1  0.9271  0.6044  0.9632  1
  Mg  Mg7  1  0.9834  0.2922  0.2560  1
  In  In8  1  0.0107  0.0216  0.8936  1
  In  In9  1  0.3080  0.7028  0.3648  1
  Ga  Ga10  1  0.0981  0.4289  0.6635  1
  Ga  Ga11  1  0.5178  0.4157  0.6117  1
  Ga  Ga12  1  0.6232  0.2131  0.9048  1
  Ga  Ga13  1  0.7533  0.8714  0.1980  1
]