data_[Ba1La1Nb1Zn1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7782]
_cell_length_b [5.7836]
_cell_length_c [5.7882]
_cell_angle_alpha [90.4688]
_cell_angle_beta [119.5712]
_cell_angle_gamma [119.6855]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaLaNbZnO6]
_chemical_formula_sum '[Ba1 La1 Nb1 Zn1 O6]'
_cell_volume [137.7514]
_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  0.4969  0.7499  0.2450  1.0
  La  La1  1  0.4991  0.2662  0.7284  1.0
  Nb  Nb2  1  0.9993  0.4995  0.4970  1.0
  Zn  Zn3  1  0.9991  0.0047  0.9930  1.0
  O  O4  1  0.0895  0.8382  0.7314  1.0
  O  O5  1  0.4892  0.6981  0.7322  1.0
  O  O6  1  0.5119  0.2751  0.2981  1.0
  O  O7  1  0.9576  0.2891  0.7751  1.0
  O  O8  1  0.9603  0.6694  0.1943  1.0
  O  O9  1  0.9971  0.2099  0.3056  1.0
]