data_[Ca8Cu4Pd8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8282]
_cell_length_b [5.5648]
_cell_length_c [7.8858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2CuPd2]
_chemical_formula_sum '[Ca8 Cu4 Pd8]'
_cell_volume [417.8815]
_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
[
  Ca  Ca0  8  0.1505  0.3637  0.1517  1.0
  Cu  Cu1  4  0.0000  0.1538  0.7500  1.0
  Pd  Pd2  8  0.1275  0.1305  0.5005  1.0
]