data_[Na1Mg149]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [15.9640]
_cell_length_b [15.9640]
_cell_length_c [15.6668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [NaMg149]
_chemical_formula_sum '[Na1 Mg149]'
_cell_volume [3457.7581]
_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  0.3333  0.6667  0.0000  1
  Mg  Mg1  12  0.0002  0.2004  0.1666  1
  Mg  Mg2  12  0.1328  0.4660  0.3339  1
  Mg  Mg3  12  0.3331  0.0669  0.3337  1
  Mg  Mg4  12  0.4006  0.0012  0.1673  1
  Mg  Mg5  6  0.0001  0.1997  0.5000  1
  Mg  Mg6  6  0.1298  0.4643  0.0000  1
  Mg  Mg7  6  0.1331  0.0666  0.3332  1
  Mg  Mg8  6  0.1333  0.2666  0.3330  1
  Mg  Mg9  6  0.1979  0.5990  0.1690  1
  Mg  Mg10  6  0.2007  0.4014  0.1660  1
  Mg  Mg11  6  0.3336  0.0676  0.0000  1
  Mg  Mg12  6  0.4001  0.2001  0.1671  1
  Mg  Mg13  6  0.4003  0.0004  0.5000  1
  Mg  Mg14  6  0.5334  0.2667  0.3338  1
  Mg  Mg15  6  0.5335  0.0671  0.3338  1
  Mg  Mg16  6  0.6003  0.2006  0.1672  1
  Mg  Mg17  3  0.1330  0.0665  0.0000  1
  Mg  Mg18  3  0.1332  0.2664  0.0000  1
  Mg  Mg19  3  0.1998  0.5999  0.5000  1
  Mg  Mg20  3  0.1998  0.3996  0.5000  1
  Mg  Mg21  3  0.4001  0.2001  0.5000  1
  Mg  Mg22  3  0.5338  0.2669  0.0000  1
  Mg  Mg23  3  0.5343  0.0686  0.0000  1
  Mg  Mg24  3  0.6002  0.2003  0.5000  1
  Mg  Mg25  2  0.0000  0.0000  0.1665  1
  Mg  Mg26  2  0.3333  0.6667  0.3334  1
  Mg  Mg27  1  0.0000  0.0000  0.5000  1
]