data_[Sr4Ca12Pd4]
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 [9.8557]
_cell_length_b [14.7843]
_cell_length_c [6.9964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [SrCa3Pd]
_chemical_formula_sum '[Sr4 Ca12 Pd4]'
_cell_volume [723.8153]
_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  0.3424  0.1982  0.8359  1.0
  Ca  Ca1  4  0.0113  0.2016  0.0465  1.0
  Ca  Ca2  4  0.4044  0.4565  0.0085  1.0
  Ca  Ca3  4  0.4613  0.0501  0.4046  1.0
  Pd  Pd4  4  0.1897  0.3789  0.4547  1.0
]