data_K2Mg2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Mg2O3
_chemical_formula_sum   'K8 Mg8 O12'
_cell_volume   437.85
_cell_formula_units_Z   4
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  1  0.05  0.78  0.76  1.0
  K  K1  1  0.71  0.44  0.43  1.0
  K  K2  1  0.54  0.68  0.36  1.0
  K  K3  1  0.68  0.54  0.03  1.0
  K  K4  1  0.81  0.95  0.23  1.0
  K  K5  1  0.95  0.81  0.16  1.0
  K  K6  1  0.78  0.05  0.63  1.0
  K  K7  1  0.44  0.71  0.96  1.0
  Mg  Mg8  1  0.02  0.05  0.17  1.0
  Mg  Mg9  1  0.44  0.47  0.42  1.0
  Mg  Mg10  1  0.8  0.72  0.38  1.0
  Mg  Mg11  1  0.72  0.8  0.02  1.0
  Mg  Mg12  1  0.77  0.69  0.82  1.0
  Mg  Mg13  1  0.69  0.77  0.57  1.0
  Mg  Mg14  1  0.05  0.02  0.22  1.0
  Mg  Mg15  1  0.47  0.44  0.97  1.0
  O  O16  1  0.3  0.72  0.87  1.0
  O  O17  1  0.49  0.49  0.0  1.0
  O  O18  1  0.53  0.06  0.27  1.0
  O  O19  1  0.72  0.3  0.52  1.0
  O  O20  1  0.76  0.73  0.8  1.0
  O  O21  1  0.43  0.96  0.93  1.0
  O  O22  1  0.06  0.53  0.12  1.0
  O  O23  1  0.73  0.76  0.6  1.0
  O  O24  1  0.77  0.19  0.72  1.0
  O  O25  1  0.96  0.43  0.47  1.0
  O  O26  1  0.0  0.0  0.2  1.0
  O  O27  1  0.19  0.77  0.67  1.0

data_K2Mg2O3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Mg2O3
_chemical_formula_sum   'K8 Mg8 O12'
_cell_volume   437.85
_cell_formula_units_Z   4
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  1  0.05  0.78  0.76  1.0
  K  K1  1  0.44  0.71  0.96  1.0
  K  K2  1  0.54  0.68  0.36  1.0
  K  K3  1  0.68  0.54  0.03  1.0
  K  K4  1  0.71  0.44  0.43  1.0
  K  K5  1  0.78  0.05  0.63  1.0
  K  K6  1  0.81  0.95  0.23  1.0
  K  K7  1  0.95  0.81  0.16  1.0
  Mg  Mg8  1  0.02  0.05  0.17  1.0
  Mg  Mg9  1  0.05  0.02  0.22  1.0
  Mg  Mg10  1  0.44  0.47  0.42  1.0
  Mg  Mg11  1  0.47  0.44  0.97  1.0
  Mg  Mg12  1  0.69  0.77  0.57  1.0
  Mg  Mg13  1  0.72  0.8  0.02  1.0
  Mg  Mg14  1  0.77  0.69  0.82  1.0
  Mg  Mg15  1  0.8  0.72  0.38  1.0
  O  O16  1  0.0  0.0  0.2  1.0
  O  O17  1  0.06  0.53  0.12  1.0
  O  O18  1  0.19  0.77  0.67  1.0
  O  O19  1  0.3  0.72  0.87  1.0
  O  O20  1  0.43  0.96  0.93  1.0
  O  O21  1  0.49  0.49  0.0  1.0
  O  O22  1  0.53  0.06  0.27  1.0
  O  O23  1  0.72  0.3  0.52  1.0
  O  O24  1  0.73  0.76  0.6  1.0
  O  O25  1  0.76  0.73  0.8  1.0
  O  O26  1  0.77  0.19  0.72  1.0
  O  O27  1  0.96  0.43  0.47  1.0

K K K K K K K K Mg Mg Mg Mg Mg Mg Mg Mg O O O O O O O O O O O O
K K K K K K K K Mg Mg Mg Mg Mg Mg Mg Mg O O O O O O O O O O O O 0 27 o o o 1 19 o o o 1 9 o o o 1 10 o o o 1 25 o o o 2 9 o o o 2 10 o o o 3 17 o o o 3 15 o o - 3 11 o o o 4 5 o o o 4 26 + + o 4 14 + + o 4 8 + + o 4 10 o o o 4 18 o + o 5 26 + + o 5 14 + + o 5 8 + + o 5 11 o o o 5 22 + o o 6 24 o o o 7 16 o o o 7 17 o o + 7 11 o o + 7 21 o o o 8 26 o o o 10 13 o o o 11 12 o o - 12 20 o o o 13 23 o o o 14 26 o o o 15 17 o o + 16 21 o o o 19 25 o o o 