data_[K2Ce2Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4053]
_cell_length_b [7.0247]
_cell_length_c [11.9292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [KCeMg6]
_chemical_formula_sum '[K2 Ce2 Mg12]'
_cell_volume [452.9517]
_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
[
  K  K0  2  0.0000  0.0000  0.1506  1
  Ce  Ce1  2  0.5000  0.0000  0.3448  1
  Mg  Mg2  4  0.0000  0.2475  0.4121  1
  Mg  Mg3  4  0.5000  0.2324  0.5841  1
  Mg  Mg4  2  0.0000  0.0000  0.6669  1
  Mg  Mg5  2  0.5000  0.0000  0.8452  1
]