data_NaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.58
_cell_length_b   10.58
_cell_length_c   10.58
_cell_angle_alpha   156.83
_cell_angle_beta   156.83
_cell_angle_gamma   32.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2
_chemical_formula_sum   'Na2 Mg4'
_cell_volume   183.35
_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
  Na  Na4  1  0.0  0.0  0.0  1.0
  Na  Na5  1  0.0  0.13  0.07  1.0
  Mg  Mg0  1  0.13  0.0  0.61  1.0
  Mg  Mg1  1  0.13  0.0  0.54  1.0
  Mg  Mg2  1  0.0  0.0  0.68  1.0
  Mg  Mg3  1  0.0  0.0  0.61  1.0

data_NaMg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   10.58
_cell_angle_alpha   101.58
_cell_angle_beta   101.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2
_chemical_formula_sum   'Na2 Mg4'
_cell_volume   183.35
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.05  0.13  0.05  1.0
  Mg  Mg2  1  0.32  0.0  0.32  1.0
  Mg  Mg3  1  0.39  0.0  0.39  1.0
  Mg  Mg4  1  0.39  0.0  0.52  1.0
  Mg  Mg5  1  0.46  0.0  0.59  1.0

Na Na Mg Mg Mg Mg