data_[Ca4Sn2Pd2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5239]
_cell_length_b [5.7033]
_cell_length_c [9.5643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2SnPdO6]
_chemical_formula_sum '[Ca4 Sn2 Pd2 O12]'
_cell_volume [248.0938]
_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  0.2319  0.0591  0.2489  1.0
  Sn  Sn1  2  0.5000  0.0000  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1377  0.2026  0.9435  1.0
  O  O4  4  0.2421  0.7002  0.9424  1.0
  O  O5  4  0.3556  0.0408  0.7467  1.0
]