data_[Mg2In8Ga10]
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 [Pmmn]
_cell_length_a [9.1005]
_cell_length_b [9.3432]
_cell_length_c [5.3673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [MgIn4Ga5]
_chemical_formula_sum '[Mg2 In8 Ga10]'
_cell_volume [456.3658]
_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  0.0000  0.0000  0.3149  1
  In  In1  4  0.0000  0.1773  0.8019  1
  In  In2  4  0.1792  0.5000  0.9014  1
  Ga  Ga3  8  0.1676  0.2690  0.2919  1
  Ga  Ga4  2  0.0000  0.5000  0.4335  1
]