data_[Sr4Ca12Pd4]
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 [Cm]
_cell_length_a [12.6525]
_cell_length_b [9.0388]
_cell_length_c [6.8916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrCa3Pd]
_chemical_formula_sum '[Sr4 Ca12 Pd4]'
_cell_volume [749.1387]
_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  2  0.1224  0.0000  0.6788  1.0
  Sr  Sr1  2  0.3288  0.5000  0.2040  1.0
  Ca  Ca2  4  0.0539  0.2955  0.2061  1.0
  Ca  Ca3  4  0.3495  0.2936  0.7175  1.0
  Ca  Ca4  2  0.0643  0.5000  0.7051  1.0
  Ca  Ca5  2  0.2849  0.0000  0.2346  1.0
  Pd  Pd6  2  0.0153  0.0000  0.0193  1.0
  Pd  Pd7  2  0.3962  0.0000  0.9145  1.0
]