data_[Mg14Sn2Pd8]
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 [12.7737]
_cell_length_b [5.0316]
_cell_length_c [9.1203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg7SnPd4]
_chemical_formula_sum '[Mg14 Sn2 Pd8]'
_cell_volume [478.5100]
_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  0.0645  0.0000  0.3783  1
  Mg  Mg1  4  0.1961  0.5000  0.6385  1
  Mg  Mg2  4  0.2186  0.0000  0.8795  1
  Mg  Mg3  2  0.0000  0.5000  0.0000  1
  Sn  Sn4  2  0.0000  0.0000  0.0000  1
  Pd  Pd5  4  0.0626  0.5000  0.7694  1
  Pd  Pd6  4  0.1970  0.5000  0.3468  1
]