data_[Ca16Ga24Pd8]
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 [Fmmm]
_cell_length_a [7.3382]
_cell_length_b [9.0448]
_cell_length_c [15.7077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ca2Ga3Pd]
_chemical_formula_sum '[Ca16 Ga24 Pd8]'
_cell_volume [1042.5575]
_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  8  0.2489  0.0000  0.5000  1.0
  Ca  Ca1  8  0.2500  0.2500  0.2500  1.0
  Ga  Ga2  16  0.0000  0.2451  0.4157  1.0
  Ga  Ga3  8  0.0000  0.0000  0.1702  1.0
  Pd  Pd4  8  0.0000  0.0000  0.3331  1.0
]