data_[Mg4In2Ga8]
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 [5.6356]
_cell_length_b [6.2693]
_cell_length_c [8.7784]
_cell_angle_alpha [93.5022]
_cell_angle_beta [102.3370]
_cell_angle_gamma [103.4916]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg2InGa4]
_chemical_formula_sum '[Mg4 In2 Ga8]'
_cell_volume [292.6135]
_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  0.2052  0.3055  0.5386  1.0
  Mg  Mg1  1  0.3185  0.8148  0.4692  1.0
  Mg  Mg2  1  0.5631  0.8729  0.0626  1.0
  Mg  Mg3  1  0.7749  0.1730  0.7812  1.0
  In  In4  1  0.1283  0.0204  0.1568  1.0
  In  In5  1  0.8723  0.4070  0.1767  1.0
  Ga  Ga6  1  0.0034  0.6397  0.9172  1.0
  Ga  Ga7  1  0.2350  0.9886  0.7744  1.0
  Ga  Ga8  1  0.3629  0.3855  0.9404  1.0
  Ga  Ga9  1  0.4271  0.5041  0.2582  1.0
  Ga  Ga10  1  0.5255  0.6782  0.7558  1.0
  Ga  Ga11  1  0.6350  0.2225  0.4315  1.0
  Ga  Ga12  1  0.8204  0.8830  0.3875  1.0
  Ga  Ga13  1  0.8784  0.6049  0.6000  1.0
]