data_[Sr12Ca4Pd4]
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 [Cc]
_cell_length_a [8.7950]
_cell_length_b [13.7150]
_cell_length_c [8.1383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Sr3CaPd]
_chemical_formula_sum '[Sr12 Ca4 Pd4]'
_cell_volume [830.7568]
_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
[
  Sr  Sr0  4  0.1743  0.4853  0.4388  1
  Sr  Sr1  4  0.3474  0.2159  0.9797  1
  Sr  Sr2  4  0.4751  0.2335  0.5679  1
  Ca  Ca3  4  0.1293  0.0289  0.5561  1
  Pd  Pd4  4  0.4253  0.3805  0.2667  1
]