data_[Ca2Os1Pd1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Os  2.2000  1.3000  0.6730
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.5464]
_cell_length_b [5.5464]
_cell_length_c [4.4554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ca2OsPdO6]
_chemical_formula_sum '[Ca2 Os1 Pd1 O6]'
_cell_volume [137.0580]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.0215  1
  Os  Os1  1  0.0000  0.0000  0.5960  1
  Pd  Pd2  1  0.5000  0.5000  0.6239  1
  O  O3  4  0.2336  0.2336  0.7130  1
  O  O4  1  0.0000  0.0000  0.1848  1
  O  O5  1  0.5000  0.5000  0.1471  1
]