data_[Ca4Mg6Al2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3622]
_cell_length_b [4.7842]
_cell_length_c [6.5021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2Mg3AlPd2]
_chemical_formula_sum '[Ca4 Mg6 Al2 Pd4]'
_cell_volume [366.5176]
_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
[
  Ca  Ca0  2  0.1206  0.5000  0.2963  1
  Ca  Ca1  2  0.3643  0.0000  0.4758  1
  Mg  Mg2  2  0.0522  0.0000  0.8605  1
  Mg  Mg3  2  0.1760  0.5000  0.8455  1
  Mg  Mg4  2  0.4422  0.5000  0.2290  1
  Al  Al5  2  0.3485  0.0000  0.9444  1
  Pd  Pd6  2  0.1564  0.0000  0.5976  1
  Pd  Pd7  2  0.3397  0.5000  0.7510  1
]