data_[Mg4Zn12Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6211]
_cell_length_b [5.4138]
_cell_length_c [6.6895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Zn6Pd]
_chemical_formula_sum '[Mg4 Zn12 Pd2]'
_cell_volume [305.0941]
_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  0.1588  0.5000  0.9186  1.0
  Zn  Zn1  8  0.1263  0.2568  0.3290  1.0
  Zn  Zn2  4  0.1225  0.0000  0.6731  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
]