data_[Li4Sm4Ga4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7176]
_cell_length_b [12.7832]
_cell_length_c [5.8606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiSmGaPd3]
_chemical_formula_sum '[Li4 Sm4 Ga4 Pd12]'
_cell_volume [428.3521]
_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  0.1101  0.2500  1
  Sm  Sm1  4  0.0000  0.3280  0.2500  1
  Ga  Ga2  4  0.0000  0.3761  0.7500  1
  Pd  Pd3  8  0.2462  0.0000  0.0000  1
  Pd  Pd4  4  0.0000  0.1767  0.7500  1
]