data_[Mg12Ag6Sn3Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7393]
_cell_length_b [4.7393]
_cell_length_c [23.7128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg4Ag2SnPd]
_chemical_formula_sum '[Mg12 Ag6 Sn3 Pd3]'
_cell_volume [461.2605]
_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  6  0.0000  0.0000  0.1310  1.0
  Mg  Mg1  6  0.0000  0.0000  0.3841  1.0
  Ag  Ag2  6  0.0000  0.0000  0.2486  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  3  -0.0000  -0.0000  0.5000  1.0
]