data_[Ba4Er2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  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 [10.4155]
_cell_length_b [6.0097]
_cell_length_c [6.0233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ErNbO6]
_chemical_formula_sum '[Ba4 Er2 Nb2 O12]'
_cell_volume [307.4063]
_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
[
  Ba  Ba0  4  0.2498  0.0000  0.7507  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0162  0.2619  0.7535  1.0
  O  O4  4  0.2376  0.5000  0.7060  1.0
]