data_[Ca4Dy4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0396]
_cell_length_b [5.8661]
_cell_length_c [8.2745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaDyPd3]
_chemical_formula_sum '[Ca4 Dy4 Pd12]'
_cell_volume [430.7554]
_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  4  0.3926  0.0824  0.7792  1.0
  Dy  Dy1  4  0.0601  0.7311  0.3793  1.0
  Pd  Pd2  4  0.1608  0.2042  0.4230  1.0
  Pd  Pd3  4  0.2442  0.5366  0.6579  1.0
  Pd  Pd4  4  0.3827  0.6545  0.9693  1.0
]