data_[Ca4Cu10Pd4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2739]
_cell_length_b [9.2739]
_cell_length_c [3.9540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2Cu5Pd2Au]
_chemical_formula_sum '[Ca4 Cu10 Pd4 Au2]'
_cell_volume [340.0690]
_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  4  0.1761  0.3239  0.0000  1
  Cu  Cu1  8  0.0577  0.8022  0.5000  1
  Cu  Cu2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  4  0.1228  0.6228  0.0000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]