data_[Ba2Mg12Nb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.2774]
_cell_length_b [6.7198]
_cell_length_c [11.5187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaMg6Nb]
_chemical_formula_sum '[Ba2 Mg12 Nb2]'
_cell_volume [408.4911]
_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  0.0000  0.0000  0.1596  1
  Mg  Mg1  4  0.0000  0.2243  0.4116  1
  Mg  Mg2  4  0.5000  0.2274  0.5779  1
  Mg  Mg3  2  0.0000  0.0000  0.6700  1
  Mg  Mg4  2  0.5000  0.0000  0.8390  1
  Nb  Nb5  2  0.5000  0.0000  0.3524  1
]