data_[La4As8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1711]
_cell_length_b [4.6440]
_cell_length_c [10.4520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaAs2Pd]
_chemical_formula_sum '[La4 As8 Pd4]'
_cell_volume [348.0732]
_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  0.1635  0.7500  0.8698  1.0
  As  As1  4  0.1346  0.7500  0.1721  1.0
  As  As2  4  0.2018  0.7500  0.5791  1.0
  Pd  Pd3  4  0.0191  0.2500  0.6132  1.0
]