data_Na2MgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.67
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   99.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgCl
_chemical_formula_sum   'Na2 Mg1 Cl1'
_cell_volume   115.38
_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
  Na  Na2  1  0.04  0.84  0.42  1.0
  Na  Na3  1  0.96  0.0  1.0  1.0
  Mg  Mg1  1  0.71  0.0  0.03  1.0
  Cl  Cl0  1  0.82  0.84  0.78  1.0

data_Na2MgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.7
_cell_length_c   8.62
_cell_angle_alpha   99.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgCl
_chemical_formula_sum   'Na2 Mg1 Cl1'
_cell_volume   115.38
_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
  Na  Na0  1  0.0  0.04  0.0  1.0
  Na  Na1  1  0.16  0.96  0.58  1.0
  Mg  Mg2  1  0.0  0.29  0.97  1.0
  Cl  Cl3  1  0.16  0.18  0.22  1.0

Na Na Mg Cl