data_[Mg12Zn12Pd8]
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 [Cmcm]
_cell_length_a [3.0830]
_cell_length_b [10.2032]
_cell_length_c [17.2178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mg3Zn3Pd2]
_chemical_formula_sum '[Mg12 Zn12 Pd8]'
_cell_volume [541.6109]
_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  8  0.0000  0.0340  0.6169  1.0
  Mg  Mg1  4  0.0000  0.3513  0.7500  1.0
  Zn  Zn2  8  0.0000  0.3624  0.5142  1.0
  Zn  Zn3  4  0.0000  0.3803  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2395  0.1246  1.0
]