data_[Mg12In2Ga6]
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 [P2_1/m]
_cell_length_a [9.3712]
_cell_length_b [4.5232]
_cell_length_c [9.7634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg6InGa3]
_chemical_formula_sum '[Mg12 In2 Ga6]'
_cell_volume [413.5060]
_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  2  0.0552  0.7500  0.9053  1
  Mg  Mg1  2  0.1584  0.7500  0.2083  1
  Mg  Mg2  2  0.1710  0.2500  0.7189  1
  Mg  Mg3  2  0.2702  0.7500  0.5213  1
  Mg  Mg4  2  0.3732  0.2500  0.3079  1
  Mg  Mg5  2  0.4663  0.7500  0.1026  1
  In  In6  2  0.0559  0.2500  0.4013  1
  Ga  Ga7  2  0.2483  0.2500  0.0194  1
  Ga  Ga8  2  0.3460  0.7500  0.8229  1
  Ga  Ga9  2  0.4548  0.2500  0.6020  1
]