data_[Ca14Ag4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.4190]
_cell_length_b [11.1240]
_cell_length_c [7.2137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca7(AgPd)2]
_chemical_formula_sum '[Ca14 Ag4 Pd4]'
_cell_volume [675.5874]
_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  8  0.2500  0.2500  0.2605  1
  Ca  Ca1  4  0.0000  0.5000  0.2481  1
  Ca  Ca2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  4  0.1754  0.0000  0.5000  1
  Pd  Pd4  4  0.0000  0.2848  0.0000  1
]