data_[La4Mg12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3004]
_cell_length_b [4.2963]
_cell_length_c [12.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaMg3Pd]
_chemical_formula_sum '[La4 Mg12 Pd4]'
_cell_volume [483.3736]
_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
[
  La  La0  4  0.1781  0.2500  0.9896  1
  Mg  Mg1  4  0.0459  0.2500  0.5818  1
  Mg  Mg2  4  0.0960  0.7500  0.7657  1
  Mg  Mg3  4  0.1535  0.7500  0.2171  1
  Pd  Pd4  4  0.1409  0.2500  0.3664  1
]