data_KMgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42
_cell_length_b   7.42
_cell_length_c   7.42
_cell_angle_alpha   34.47
_cell_angle_beta   34.47
_cell_angle_gamma   34.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgCl2
_chemical_formula_sum   'K1 Mg1 Cl2'
_cell_volume   116.76
_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  K2  1  0.0  0.0  0.46  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.44  1.0
  Cl  Cl1  1  0.0  0.0  0.48  1.0

data_KMgCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.62
_cell_length_b   4.4
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   110.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMgCl2
_chemical_formula_sum   'K2 Mg2 Cl4'
_cell_volume   233.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.54  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.52  1.0
  Cl  Cl3  2  0.0  0.0  0.56  1.0

K Mg Cl Cl