data_[Mg14In2Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9358]
_cell_length_b [5.0589]
_cell_length_c [9.7039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg7InAu4]
_chemical_formula_sum '[Mg14 In2 Au8]'
_cell_volume [515.1122]
_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  0.0678  0.0000  0.3562  1
  Mg  Mg1  4  0.1679  0.5000  0.6022  1
  Mg  Mg2  4  0.2178  0.0000  0.8751  1
  Mg  Mg3  2  0.0000  0.5000  0.0000  1
  In  In4  2  0.0000  0.0000  0.0000  1
  Au  Au5  4  0.0689  0.5000  0.7775  1
  Au  Au6  4  0.2045  0.5000  0.3397  1
]