data_[Ca4Tm2Pd2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  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 [5.5946]
_cell_length_b [5.7880]
_cell_length_c [9.6977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2TmPdO6]
_chemical_formula_sum '[Ca4 Tm2 Pd2 O12]'
_cell_volume [258.7790]
_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  0.2327  0.0572  0.2499  1.0
  Tm  Tm1  2  0.5000  0.0000  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1246  0.2123  0.9395  1.0
  O  O4  4  0.2319  0.6925  0.9432  1.0
  O  O5  4  0.3478  0.0421  0.7371  1.0
]