data_[Li4Mg4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.8951]
_cell_length_b [8.2836]
_cell_length_c [4.9736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMgPd]
_chemical_formula_sum '[Li4 Mg4 Pd4]'
_cell_volume [193.2766]
_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
[
  Li  Li0  4  0.0000  0.0740  0.2500  1.0
  Mg  Mg1  4  0.0000  0.3945  0.2500  1.0
  Pd  Pd2  4  0.0000  0.2623  0.7500  1.0
]