data_[K3Na12Mg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8295]
_cell_length_b [5.8295]
_cell_length_c [19.6317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [K3Na12Mg]
_chemical_formula_sum '[K3 Na12 Mg1]'
_cell_volume [667.1419]
_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
[
  K  K0  2  0.0000  0.0000  0.2257  1
  K  K1  1  0.0000  0.0000  0.5000  1
  Na  Na2  4  0.0000  0.5000  0.0967  1
  Na  Na3  4  0.0000  0.5000  0.3634  1
  Na  Na4  2  0.5000  0.5000  0.2325  1
  Na  Na5  1  0.5000  0.5000  0.0000  1
  Na  Na6  1  0.5000  0.5000  0.5000  1
  Mg  Mg7  1  0.0000  0.0000  0.0000  1
]