data_[Li2As4Pd16]
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 [7.4434]
_cell_length_b [10.9881]
_cell_length_c [4.4943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(AsPd4)2]
_chemical_formula_sum '[Li2 As4 Pd16]'
_cell_volume [351.2687]
_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  2  0.0000  0.0000  0.5000  1.0
  As  As1  4  0.0000  0.3209  0.0000  1.0
  Pd  Pd2  8  0.1966  0.1248  0.0953  1.0
  Pd  Pd3  4  0.0000  0.2345  0.5000  1.0
  Pd  Pd4  4  0.1270  0.5000  0.3280  1.0
]