data_[Ba1Nd2W1O8]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6670]
_cell_length_b [5.6890]
_cell_length_c [7.1732]
_cell_angle_alpha [81.2238]
_cell_angle_beta [73.7757]
_cell_angle_gamma [72.6070]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaNd2WO8]
_chemical_formula_sum '[Ba1 Nd2 W1 O8]'
_cell_volume [211.2951]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Nd  Nd1  2  0.3342  0.4280  0.8306  1
  W  W2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.0676  0.2479  0.1277  1
  O  O4  2  0.2089  0.1056  0.7568  1
  O  O5  2  0.3007  0.7412  0.0493  1
  O  O6  2  0.3709  0.5757  0.4885  1
]