data_[K4Sn12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0622]
_cell_length_b [7.1785]
_cell_length_c [9.8229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KSn3Pd]
_chemical_formula_sum '[K4 Sn12 Pd4]'
_cell_volume [565.4452]
_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
[
  K  K0  4  0.3700  0.0794  0.7728  1.0
  Sn  Sn1  4  0.0496  0.1611  0.3298  1.0
  Sn  Sn2  4  0.1924  0.0123  0.0608  1.0
  Sn  Sn3  4  0.3378  0.6146  0.8984  1.0
  Pd  Pd4  4  0.0483  0.6801  0.9462  1.0
]