data_[Na1Mg2B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3122]
_cell_length_b [5.3661]
_cell_length_c [5.4704]
_cell_angle_alpha [91.9773]
_cell_angle_beta [115.4630]
_cell_angle_gamma [115.8998]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaMg2(BO3)2]
_chemical_formula_sum '[Na1 Mg2 B2 O6]'
_cell_volume [121.8137]
_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
[
  Na  Na0  1  0.0000  0.5000  0.5000  1.0
  Mg  Mg1  2  0.3592  0.7884  0.1477  1.0
  B  B2  2  0.2967  0.2261  0.2387  1.0
  O  O3  2  0.1362  0.3775  0.1792  1.0
  O  O4  2  0.2819  0.0601  0.4309  1.0
  O  O5  2  0.4726  0.2135  0.1190  1.0
]