data_[Ca4Y2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8929]
_cell_length_b [5.8510]
_cell_length_c [5.7399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2YNbO6]
_chemical_formula_sum '[Ca4 Y2 Nb2 O12]'
_cell_volume [274.7743]
_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  0.2484  0.0000  0.7171  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0706  0.2599  0.3363  1.0
  O  O4  4  0.2308  0.5000  0.8566  1.0
]