data_[Mg10Sn4Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9626]
_cell_length_b [8.1849]
_cell_length_c [6.0587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg5(SnPd6)2]
_chemical_formula_sum '[Mg10 Sn4 Pd24]'
_cell_volume [641.3177]
_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  0.1681  0.5000  0.9208  1.0
  Mg  Mg1  4  0.2451  0.0000  0.5258  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  4  0.0000  0.2293  0.0000  1.0
  Pd  Pd4  8  0.1018  0.2759  0.5996  1.0
  Pd  Pd5  8  0.1970  0.2403  0.2030  1.0
  Pd  Pd6  4  0.0451  0.5000  0.2629  1.0
  Pd  Pd7  4  0.1353  0.0000  0.8821  1.0
]