data_K2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   10.5
_cell_angle_alpha   110.4
_cell_angle_beta   110.4
_cell_angle_gamma   33.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Mg
_chemical_formula_sum   'K4 Mg2'
_cell_volume   313.94
_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  1  0.04  0.0  0.85  1.0
  K  K1  1  0.14  0.0  0.19  1.0
  K  K2  1  0.76  0.0  0.6  1.0
  K  K3  1  0.86  0.0  0.94  1.0
  Mg  Mg4  1  0.69  0.0  0.47  1.0
  Mg  Mg5  1  0.21  0.0  0.31  1.0

data_K2Mg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.36
_cell_length_b   7.67
_cell_length_c   10.5
_cell_angle_alpha   110.4
_cell_angle_beta   90.0
_cell_angle_gamma   106.51
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K2Mg
_chemical_formula_sum   'K4 Mg2'
_cell_volume   313.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.09  0.95  1.0
  K  K1  2  0.0  0.19  0.29  1.0
  Mg  Mg2  2  0.0  0.26  0.42  1.0

K K K K Mg Mg