data_[Ba1Y1Mg1Nb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6999]
_cell_length_b [5.7053]
_cell_length_c [5.7174]
_cell_angle_alpha [90.7324]
_cell_angle_beta [118.9132]
_cell_angle_gamma [119.8670]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaYMgNbO6]
_chemical_formula_sum '[Ba1 Y1 Mg1 Nb1 O6]'
_cell_volume [133.0320]
_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  0.4949  0.7486  0.2431  1.0
  Y  Y1  1  0.4982  0.2796  0.7159  1.0
  Mg  Mg2  1  0.9993  0.0049  0.9962  1.0
  Nb  Nb3  1  0.0001  0.4993  0.4984  1.0
  O  O4  1  0.0047  0.2053  0.3150  1.0
  O  O5  1  0.1223  0.8665  0.7346  1.0
  O  O6  1  0.4948  0.6865  0.7316  1.0
  O  O7  1  0.5071  0.2739  0.3126  1.0
  O  O8  1  0.9361  0.6467  0.1746  1.0
  O  O9  1  0.9424  0.2887  0.7781  1.0
]