data_[Ca4Sb2As2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6133]
_cell_length_b [8.9043]
_cell_length_c [8.5032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca2SbAsPd6]
_chemical_formula_sum '[Ca4 Sb2 As2 Pd12]'
_cell_volume [425.0141]
_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
[
  Ca  Ca0  4  0.0000  0.2497  0.2643  1.0
  Sb  Sb1  2  0.0000  0.5000  0.7281  1.0
  As  As2  2  0.0000  0.0000  0.7582  1.0
  Pd  Pd3  4  0.0000  0.2478  0.8944  1.0
  Pd  Pd4  4  0.2471  0.0000  0.5241  1.0
  Pd  Pd5  4  0.2491  0.5000  0.9974  1.0
]