data_[Mg4Zn12Pd8]
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 [14.6812]
_cell_length_b [3.6087]
_cell_length_c [8.3659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgZn3Pd2]
_chemical_formula_sum '[Mg4 Zn12 Pd8]'
_cell_volume [366.5186]
_cell_formula_units_Z [4]
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  0.0918  0.0000  0.2072  1.0
  Zn  Zn1  4  0.0821  0.0000  0.7029  1.0
  Zn  Zn2  4  0.0842  0.5000  0.4529  1.0
  Zn  Zn3  4  0.2498  0.5000  0.8777  1.0
  Pd  Pd4  4  0.0831  0.5000  0.9389  1.0
  Pd  Pd5  4  0.2396  0.0000  0.6294  1.0
]