data_[Sr2Ca6Pd2]
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 [P-1]
_cell_length_a [6.5896]
_cell_length_b [7.5594]
_cell_length_c [7.6995]
_cell_angle_alpha [91.5383]
_cell_angle_beta [97.3964]
_cell_angle_gamma [102.9217]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrCa3Pd]
_chemical_formula_sum '[Sr2 Ca6 Pd2]'
_cell_volume [370.1022]
_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  2  0.2615  0.7846  0.7045  1.0
  Ca  Ca1  2  0.1784  0.9221  0.1795  1.0
  Ca  Ca2  2  0.2665  0.4493  0.0992  1.0
  Ca  Ca3  2  0.2969  0.2779  0.5919  1.0
  Pd  Pd4  2  0.4320  0.1655  0.9362  1.0
]