data_[Ba4Ca4Pd4]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0626]
_cell_length_b [8.7531]
_cell_length_c [7.7277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaCaPd]
_chemical_formula_sum '[Ba4 Ca4 Pd4]'
_cell_volume [477.1701]
_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  0.2468  0.1233  0.9083  1.0
  Ca  Ca1  4  0.2924  0.6270  0.9109  1.0
  Pd  Pd2  4  0.4974  0.6250  0.2423  1.0
]