data_[La4Ag1Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0062]
_cell_length_b [4.7797]
_cell_length_c [11.1375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La4AgPd3]
_chemical_formula_sum '[La4 Ag1 Pd3]'
_cell_volume [213.2644]
_cell_formula_units_Z [1]
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
[
  La  La0  1  0.0000  0.0000  0.1382  1.0
  La  La1  1  0.0000  0.5000  0.8557  1.0
  La  La2  1  0.5000  0.0000  0.6350  1.0
  La  La3  1  0.5000  0.5000  0.3740  1.0
  Ag  Ag4  1  0.5000  0.5000  0.0805  1.0
  Pd  Pd5  1  0.0000  0.0000  0.4136  1.0
  Pd  Pd6  1  0.0000  0.5000  0.5886  1.0
  Pd  Pd7  1  0.5000  0.0000  0.9143  1.0
]