data_[Ba4Ca4Pd4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3869]
_cell_length_b [4.0138]
_cell_length_c [7.3612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCaPdO3]
_chemical_formula_sum '[Ba4 Ca4 Pd4 O12]'
_cell_volume [380.7438]
_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
[
  Ba  Ba0  4  0.1452  0.5000  0.0779  1.0
  Ca  Ca1  4  0.1482  0.5000  0.5692  1.0
  Pd  Pd2  4  0.0026  0.0000  0.2663  1.0
  O  O3  4  0.0001  0.5000  0.3015  1.0
  O  O4  4  0.1574  0.0000  0.8091  1.0
  O  O5  4  0.1650  0.0000  0.3518  1.0
]