data_[Li6As2Pd8]
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 [Pmn2_1]
_cell_length_a [9.0355]
_cell_length_b [4.7790]
_cell_length_c [5.3328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li3AsPd4]
_chemical_formula_sum '[Li6 As2 Pd8]'
_cell_volume [230.2726]
_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  0.2490  0.9906  0.7998  1.0
  Li  Li1  2  0.0000  0.3040  0.3308  1.0
  As  As2  2  0.0000  0.7860  0.0300  1.0
  Pd  Pd3  4  0.2402  0.5312  0.0830  1.0
  Pd  Pd4  2  0.0000  0.2778  0.8323  1.0
  Pd  Pd5  2  0.0000  0.7894  0.5259  1.0
]