data_[La4Mg2Pd10]
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 [I4mm]
_cell_length_a [6.4847]
_cell_length_b [6.4847]
_cell_length_c [7.8671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [La2MgPd5]
_chemical_formula_sum '[La4 Mg2 Pd10]'
_cell_volume [330.8272]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.2529  1.0
  Mg  Mg1  2  0.0000  0.0000  0.9129  1.0
  Pd  Pd2  8  0.2193  0.2193  0.5130  1.0
  Pd  Pd3  2  0.0000  0.0000  0.2512  1.0
]