data_K2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   10.13
_cell_angle_alpha   101.49
_cell_angle_beta   101.49
_cell_angle_gamma   86.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Mg
_chemical_formula_sum   'K2 Mg1'
_cell_volume   157.68
_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  0.11  0.0  0.13  1.0
  K  K1  1  0.97  0.0  0.61  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0

data_K2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   10.13
_cell_angle_alpha   100.12
_cell_angle_beta   101.44
_cell_angle_gamma   93.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Mg
_chemical_formula_sum   'K2 Mg1'
_cell_volume   157.68
_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  0.36  0.0  0.39  1.0
  K  K1  1  0.99  0.0  0.87  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0

K K Mg
K K Mg 0 2 o o o 1 1 o + o 1 1 + o o 1 2 + o + 