data_[Sr4Cu2Si2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7124]
_cell_length_b [5.6703]
_cell_length_c [8.0704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2CuSiPd6]
_chemical_formula_sum '[Sr4 Cu2 Si2 Pd12]'
_cell_volume [412.6634]
_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
[
  Sr  Sr0  4  0.2328  0.5000  0.1961  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd3  8  0.0082  0.2449  0.2759  1.0
  Pd  Pd4  4  0.2485  0.5000  0.6162  1.0
]