data_[Ba2Nd2B2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2127]
_cell_length_b [5.4645]
_cell_length_c [7.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNdBO4]
_chemical_formula_sum '[Ba2 Nd2 B2 O8]'
_cell_volume [198.2457]
_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  0.3035  0.2500  0.0784  1.0
  Nd  Nd1  2  0.2189  0.2500  0.5354  1.0
  B  B2  2  0.2020  0.7500  0.3065  1.0
  O  O3  4  0.0220  0.5278  0.2675  1.0
  O  O4  2  0.3547  0.7500  0.5239  1.0
  O  O5  2  0.3878  0.7500  0.1883  1.0
]