data_[Li2As6Pd12]
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 [P2_1/m]
_cell_length_a [8.6082]
_cell_length_b [4.1944]
_cell_length_c [9.6742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(AsPd2)3]
_chemical_formula_sum '[Li2 As6 Pd12]'
_cell_volume [328.3259]
_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  0.3881  0.2500  0.2802  1
  As  As1  2  0.0866  0.2500  0.9418  1
  As  As2  2  0.1991  0.2500  0.4597  1
  As  As3  2  0.3122  0.7500  0.8319  1
  Pd  Pd4  2  0.0460  0.2500  0.1927  1
  Pd  Pd5  2  0.1096  0.7500  0.5822  1
  Pd  Pd6  2  0.2379  0.7500  0.1065  1
  Pd  Pd7  2  0.3719  0.7500  0.4632  1
  Pd  Pd8  2  0.3933  0.2500  0.0014  1
  Pd  Pd9  2  0.4082  0.2500  0.7077  1
]