data_[Sr12Li4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8992]
_cell_length_b [4.3363]
_cell_length_c [8.8057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3LiPd]
_chemical_formula_sum '[Sr12 Li4 Pd4]'
_cell_volume [732.2682]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.1521  0.5000  0.9411  1.0
  Sr  Sr1  4  0.2088  0.0000  0.6146  1.0
  Sr  Sr2  2  0.0000  0.0000  0.0000  1.0
  Sr  Sr3  2  0.0000  0.0000  0.5000  1.0
  Li  Li4  4  0.1089  0.5000  0.2983  1.0
  Pd  Pd5  4  0.1686  0.0000  0.2207  1.0
]