data_[Mg18In8Ag22]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.2843]
_cell_length_b [20.2519]
_cell_length_c [3.2573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg9In4Ag11]
_chemical_formula_sum '[Mg18 In8 Ag22]'
_cell_volume [942.2910]
_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  8  0.1078  0.0948  0.5000  1
  Mg  Mg1  8  0.1161  0.2692  0.5000  1
  Mg  Mg2  2  0.0000  0.5000  0.5000  1
  In  In3  8  0.1678  0.4167  0.5000  1
  Ag  Ag4  8  0.2232  0.1803  0.0000  1
  Ag  Ag5  4  0.0000  0.1852  0.0000  1
  Ag  Ag6  4  0.0000  0.3665  0.0000  1
  Ag  Ag7  4  0.2031  0.0000  0.0000  1
  Ag  Ag8  2  0.0000  0.0000  0.0000  1
]