data_KYMg14O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   8.68
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYMg14O16
_chemical_formula_sum   'K1 Y1 Mg14 O16'
_cell_volume   341.4
_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  1  0.22  0.34  0.0  1.0
  Y  Y1  1  0.22  0.34  0.44  1.0
  Mg  Mg2  1  0.22  0.0  0.44  1.0
  Mg  Mg3  1  0.22  0.0  0.0  1.0
  Mg  Mg4  1  0.0  0.34  0.78  1.0
  Mg  Mg5  1  0.0  0.34  0.09  1.0
  Mg  Mg6  1  0.0  0.0  0.68  1.0
  Mg  Mg7  1  0.0  0.0  0.19  1.0
  Mg  Mg8  1  0.0  0.61  0.44  1.0
  Mg  Mg9  1  0.0  0.53  0.0  1.0
  Mg  Mg10  1  0.0  0.07  0.44  1.0
  Mg  Mg11  1  0.0  0.15  0.0  1.0
  Mg  Mg12  1  0.22  0.57  0.73  1.0
  Mg  Mg13  1  0.22  0.57  0.15  1.0
  Mg  Mg14  1  0.22  0.11  0.73  1.0
  Mg  Mg15  1  0.22  0.11  0.15  1.0
  O  O16  1  0.22  0.61  0.44  1.0
  O  O17  1  0.22  0.74  0.0  1.0
  O  O18  1  0.22  0.07  0.44  1.0
  O  O19  1  0.22  0.94  0.0  1.0
  O  O20  1  0.0  0.51  0.64  1.0
  O  O21  1  0.0  0.51  0.23  1.0
  O  O22  1  0.0  0.18  0.64  1.0
  O  O23  1  0.0  0.18  0.23  1.0
  O  O24  1  0.0  0.34  0.44  1.0
  O  O25  1  0.0  0.34  0.0  1.0
  O  O26  1  0.0  0.0  0.44  1.0
  O  O27  1  0.0  0.0  0.0  1.0
  O  O28  1  0.22  0.34  0.56  1.0
  O  O29  1  0.22  0.34  0.31  1.0
  O  O30  1  0.22  0.0  0.61  1.0
  O  O31  1  0.22  0.0  0.26  1.0

data_KYMg14O16
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   8.68
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYMg14O16
_chemical_formula_sum   'K1 Y1 Mg14 O16'
_cell_volume   341.4
_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  1  0.22  0.34  0.0  1.0
  Y  Y1  1  0.22  0.34  0.44  1.0
  Mg  Mg2  1  0.0  0.0  0.19  1.0
  Mg  Mg3  1  0.0  0.0  0.68  1.0
  Mg  Mg4  1  0.0  0.07  0.44  1.0
  Mg  Mg5  1  0.0  0.15  0.0  1.0
  Mg  Mg6  1  0.0  0.34  0.09  1.0
  Mg  Mg7  1  0.0  0.34  0.78  1.0
  Mg  Mg8  1  0.0  0.53  0.0  1.0
  Mg  Mg9  1  0.0  0.61  0.44  1.0
  Mg  Mg10  1  0.22  0.0  0.0  1.0
  Mg  Mg11  1  0.22  0.0  0.44  1.0
  Mg  Mg12  1  0.22  0.11  0.15  1.0
  Mg  Mg13  1  0.22  0.11  0.73  1.0
  Mg  Mg14  1  0.22  0.57  0.15  1.0
  Mg  Mg15  1  0.22  0.57  0.73  1.0
  O  O16  1  0.0  0.0  0.0  1.0
  O  O17  1  0.0  0.0  0.44  1.0
  O  O18  1  0.0  0.18  0.23  1.0
  O  O19  1  0.0  0.18  0.64  1.0
  O  O20  1  0.0  0.34  0.0  1.0
  O  O21  1  0.0  0.34  0.44  1.0
  O  O22  1  0.0  0.51  0.23  1.0
  O  O23  1  0.0  0.51  0.64  1.0
  O  O24  1  0.22  0.0  0.26  1.0
  O  O25  1  0.22  0.0  0.61  1.0
  O  O26  1  0.22  0.07  0.44  1.0
  O  O27  1  0.22  0.34  0.31  1.0
  O  O28  1  0.22  0.34  0.56  1.0
  O  O29  1  0.22  0.61  0.44  1.0
  O  O30  1  0.22  0.74  0.0  1.0
  O  O31  1  0.22  0.94  0.0  1.0

K Y Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg O O O O O O O O O O O O O O O O
K Y Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg O O O O O O O O O O O O O O O O 0 25 o o o 0 4 o o - 0 9 o o o 1 24 o o o 1 29 o o o 1 28 o o o 2 18 o o o 3 19 o - o 3 11 o o o 3 15 o o o 3 27 o o o 4 14 o o o 4 22 o o o 4 28 o o o 4 20 o o o 4 12 o o o 4 25 o o + 5 25 o o o 5 9 o o o 6 30 o o o 6 14 o o o 6 22 o o o 7 15 o o o 7 31 o o o 7 23 o o o 8 16 o o o 9 25 o o o 9 17 o o o 9 13 o o o 10 26 o o o 11 27 o o o 11 15 o o o 11 25 o o o 12 20 o o o 13 21 o o o 13 17 o o o 14 22 o o o 14 30 o o o 15 23 o o o 15 31 o o o 17 19 o o o 19 27 o + o 