data_[Sr8Ca24Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4042]
_cell_length_b [14.7804]
_cell_length_c [7.5988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrCa3Pd]
_chemical_formula_sum '[Sr8 Ca24 Pd8]'
_cell_volume [1484.9711]
_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
[
  Sr  Sr0  8  0.1194  0.2998  0.6098  1.0
  Ca  Ca1  8  0.1121  0.0594  0.4538  1.0
  Ca  Ca2  8  0.1298  0.4277  0.1590  1.0
  Ca  Ca3  8  0.1370  0.1790  0.0453  1.0
  Pd  Pd4  4  0.0000  0.1016  0.7500  1.0
  Pd  Pd5  4  0.0000  0.2688  0.2500  1.0
]