data_[Li6As1Pd5]
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/m]
_cell_length_a [4.6565]
_cell_length_b [5.4545]
_cell_length_c [6.6328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li6AsPd5]
_chemical_formula_sum '[Li6 As1 Pd5]'
_cell_volume [168.4546]
_cell_formula_units_Z [1]
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  0.1759  0.2481  0.3370  1
  Li  Li1  2  0.5000  0.2488  0.0000  1
  As  As2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  2  0.3196  0.0000  0.6717  1
  Pd  Pd4  2  0.3320  0.5000  0.6665  1
  Pd  Pd5  1  0.0000  0.5000  0.0000  1
]