data_[Mg2Sn8Pd14]
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 [11.3484]
_cell_length_b [4.8396]
_cell_length_c [9.8243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgSn4Pd7]
_chemical_formula_sum '[Mg2 Sn8 Pd14]'
_cell_volume [455.4958]
_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  2  0.0000  0.0000  0.0000  1
  Sn  Sn1  4  0.0884  0.5000  0.7783  1
  Sn  Sn2  4  0.2370  0.5000  0.3323  1
  Pd  Pd3  4  0.0766  0.0000  0.3194  1
  Pd  Pd4  4  0.1362  0.5000  0.5323  1
  Pd  Pd5  4  0.2132  0.0000  0.9026  1
  Pd  Pd6  2  0.0000  0.5000  0.0000  1
]