data_[Sr12Ca4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.6004]
_cell_length_b [7.8379]
_cell_length_c [13.6693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr3CaPd]
_chemical_formula_sum '[Sr12 Ca4 Pd4]'
_cell_volume [829.8304]
_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  0.0604  0.0823  0.2927  1
  Sr  Sr1  4  0.3243  0.1517  0.6729  1
  Sr  Sr2  4  0.4310  0.7282  0.4655  1
  Ca  Ca3  4  0.1454  0.6673  0.5798  1
  Pd  Pd4  4  0.2027  0.0951  0.9580  1
]