data_[Ba2Ca2Nd2Sb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9632]
_cell_length_b [6.0251]
_cell_length_c [8.5176]
_cell_angle_alpha [89.6724]
_cell_angle_beta [89.3615]
_cell_angle_gamma [89.9722]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCaNdSbO6]
_chemical_formula_sum '[Ba2 Ca2 Nd2 Sb2 O12]'
_cell_volume [306.0059]
_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  2  0.4939  0.4700  0.2500  1.0
  Ca  Ca1  2  0.0088  0.9625  0.2547  1.0
  Nd  Nd2  1  0.0000  0.5000  0.0000  1.0
  Nd  Nd3  1  0.5000  0.0000  0.5000  1.0
  Sb  Sb4  1  0.0000  0.5000  0.5000  1.0
  Sb  Sb5  1  0.5000  0.0000  0.0000  1.0
  O  O6  2  0.0601  0.4397  0.7300  1.0
  O  O7  2  0.1790  0.2202  0.4444  1.0
  O  O8  2  0.2296  0.1886  0.0623  1.0
  O  O9  2  0.2714  0.6934  0.4755  1.0
  O  O10  2  0.3055  0.7332  0.0372  1.0
  O  O11  2  0.3941  0.0035  0.7713  1.0
]