data_[K6Mg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6845]
_cell_length_b [15.5354]
_cell_length_c [7.5738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KMg]
_chemical_formula_sum '[K6 Mg6]'
_cell_volume [551.1912]
_cell_formula_units_Z [6]
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  4  0.0000  0.2068  0.8248  1
  K  K1  2  0.0000  0.5000  0.5440  1
  Mg  Mg2  4  0.0000  0.0993  0.3769  1
  Mg  Mg3  2  0.0000  0.5000  0.0505  1
]