data_[Ba4Li4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6265]
_cell_length_b [6.2155]
_cell_length_c [8.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaLiPd]
_chemical_formula_sum '[Ba4 Li4 Pd4]'
_cell_volume [319.5954]
_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  0.1866  0.6171  0.3714  1
  Li  Li1  4  0.4146  0.1040  0.3172  1
  Pd  Pd2  4  0.2030  0.1259  0.5349  1
]