data_[Mg8In2Ga10]
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 [9.1453]
_cell_length_b [9.9372]
_cell_length_c [4.6128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Mg4InGa5]
_chemical_formula_sum '[Mg8 In2 Ga10]'
_cell_volume [419.2006]
_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  4  0.0000  0.3216  0.7759  1
  Mg  Mg1  4  0.2012  0.0000  0.2482  1
  In  In2  2  0.0000  0.0000  0.7486  1
  Ga  Ga3  8  0.2253  0.3204  0.2525  1
  Ga  Ga4  2  0.0000  0.5000  0.2822  1
]