data_NaMgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   6.79
_cell_length_c   3.55
_cell_angle_alpha   81.4
_cell_angle_beta   69.32
_cell_angle_gamma   29.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgCl
_chemical_formula_sum   'Na1 Mg1 Cl1'
_cell_volume   74.13
_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  0.9  1.0  0.54  1.0
  Mg  Mg1  1  0.9  1.0  0.46  1.0
  Cl  Cl0  1  0.9  1.0  0.02  1.0

data_NaMgCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.79
_cell_length_b   13.03
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   122.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMgCl
_chemical_formula_sum   'Na2 Mg2 Cl2'
_cell_volume   148.25
_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
  Na  Na0  2  0.06  0.5  0.56  1.0
  Mg  Mg1  2  0.14  0.5  0.64  1.0
  Cl  Cl2  2  0.08  0.0  0.08  1.0

Na Mg Cl