data_[Ca4Sc2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sc  1.3600  1.6000  0.8850
  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 [9.7304]
_cell_length_b [5.6932]
_cell_length_c [5.6334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2ScNbO6]
_chemical_formula_sum '[Ca4 Sc2 Nb2 O12]'
_cell_volume [255.2570]
_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  0.2496  0.0000  0.7268  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0601  0.2538  0.3163  1.0
  O  O4  4  0.2421  0.5000  0.8506  1.0
]