data_[Mg18In36Ag3]
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 [R-3]
_cell_length_a [10.8361]
_cell_length_b [10.8361]
_cell_length_c [13.8951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg6In12Ag]
_chemical_formula_sum '[Mg18 In36 Ag3]'
_cell_volume [1412.9950]
_cell_formula_units_Z [3]
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  18  0.0295  0.4347  0.7030  1.0
  In  In1  18  0.0276  0.1845  0.8195  1.0
  In  In2  18  0.0559  0.8518  0.4079  1.0
  Ag  Ag3  3  0.0000  0.0000  0.0000  1.0
]