data_[Li2Y2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2171]
_cell_length_b [4.0317]
_cell_length_c [5.8071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiYPd4]
_chemical_formula_sum '[Li2 Y2 Pd8]'
_cell_volume [201.8817]
_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
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.1590  0.5000  0.8105  1
  Pd  Pd3  4  0.1734  0.5000  0.3377  1
]