data_[Li6As8Pd4]
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 [9.3206]
_cell_length_b [4.3979]
_cell_length_c [7.9524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(As2Pd)2]
_chemical_formula_sum '[Li6 As8 Pd4]'
_cell_volume [321.2364]
_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  0.1154  0.5000  0.7082  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.0757  0.0000  0.3817  1.0
  As  As3  4  0.1961  0.5000  0.0563  1.0
  Pd  Pd4  4  0.2044  0.5000  0.3807  1.0
]