data_[Li16As2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5758]
_cell_length_b [4.1824]
_cell_length_c [6.1767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8AsPd2]
_chemical_formula_sum '[Li16 As2 Pd4]'
_cell_volume [329.2266]
_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
[
  Li  Li0  4  0.0346  0.0000  0.7492  1.0
  Li  Li1  4  0.1094  0.5000  0.4408  1.0
  Li  Li2  4  0.1503  0.0000  0.1940  1.0
  Li  Li3  4  0.1723  0.5000  0.9053  1.0
  As  As4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.2133  0.0000  0.6459  1.0
]