data_[Sr4Er2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [10.1332]
_cell_length_b [5.8993]
_cell_length_c [5.9169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2ErNbO6]
_chemical_formula_sum '[Sr4 Er2 Nb2 O12]'
_cell_volume [289.4336]
_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
[
  Sr  Sr0  4  0.2485  0.0000  0.2343  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  Nb  Nb2  2  0.0000  0.5000  0.0000  1.0
  O  O3  8  0.0489  0.2597  0.8126  1.0
  O  O4  4  0.2362  0.5000  0.3239  1.0
]