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 [P1]
_cell_length_a [6.8363]
_cell_length_b [7.8399]
_cell_length_c [8.1334]
_cell_angle_alpha [63.1208]
_cell_angle_beta [80.6950]
_cell_angle_gamma [74.3680]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrCa3Pd]
_chemical_formula_sum '[Sr2 Ca6 Pd2]'
_cell_volume [374.0343]
_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  1  0.0141  0.2807  0.9413  1.0
  Sr  Sr1  1  0.4805  0.2617  0.2316  1.0
  Ca  Ca2  1  0.0294  0.7931  0.9370  1.0
  Ca  Ca3  1  0.0362  0.9720  0.4533  1.0
  Ca  Ca4  1  0.4791  0.7875  0.1583  1.0
  Ca  Ca5  1  0.5655  0.7623  0.6554  1.0
  Ca  Ca6  1  0.5682  0.2348  0.7156  1.0
  Ca  Ca7  1  0.9978  0.4955  0.4269  1.0
  Pd  Pd8  1  0.2433  0.0960  0.6601  1.0
  Pd  Pd9  1  0.8038  0.9163  0.2199  1.0
]