data_[Ca8Ga16Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.6217]
_cell_length_b [7.2021]
_cell_length_c [5.6027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaGa2Pd]
_chemical_formula_sum '[Ca8 Ga16 Pd8]'
_cell_volume [630.3643]
_cell_formula_units_Z [8]
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  0.1057  0.2500  0.7651  1
  Ca  Ca1  4  0.1410  0.7500  0.5280  1
  Ga  Ga2  8  0.0367  0.0576  0.2544  1
  Ga  Ga3  8  0.2131  0.5547  0.0507  1
  Pd  Pd4  4  0.0714  0.7500  0.0147  1
  Pd  Pd5  4  0.1823  0.2500  0.2838  1
]