data_[Sr6Ca2Pd2]
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 [7.3549]
_cell_length_b [8.0349]
_cell_length_c [8.2557]
_cell_angle_alpha [66.6016]
_cell_angle_beta [79.0456]
_cell_angle_gamma [70.6750]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr3CaPd]
_chemical_formula_sum '[Sr6 Ca2 Pd2]'
_cell_volume [421.5607]
_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  0.0088  0.7548  0.2843  1.0
  Sr  Sr1  2  0.4575  0.7502  0.5114  1.0
  Sr  Sr2  1  0.5000  0.0000  0.0000  1.0
  Sr  Sr3  1  0.5000  0.5000  0.0000  1.0
  Ca  Ca4  2  0.0550  0.2791  0.1908  1.0
  Pd  Pd5  2  0.2714  0.4122  0.7817  1.0
]