data_NaMg6Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   59.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg6Sn
_chemical_formula_sum   'Na1 Mg6 Sn1'
_cell_volume   190.34
_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  0.0  0.6  1.0
  Mg  Mg1  1  0.0  0.37  0.74  1.0
  Mg  Mg2  1  0.0  0.63  0.74  1.0
  Mg  Mg3  1  0.58  0.39  0.63  1.0
  Mg  Mg4  1  0.58  0.61  0.63  1.0
  Mg  Mg5  1  0.58  0.0  0.83  1.0
  Mg  Mg6  1  0.58  0.0  0.51  1.0
  Sn  Sn7  1  0.0  0.0  0.89  1.0

data_NaMg6Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   6.47
_cell_length_c   6.55
_cell_angle_alpha   119.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg6Sn
_chemical_formula_sum   'Na1 Mg6 Sn1'
_cell_volume   190.34
_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  0.6  0.6  1.0
  Mg  Mg1  1  -0.0  0.74  0.37  1.0
  Mg  Mg2  1  0.0  0.74  0.12  1.0
  Mg  Mg3  1  0.42  0.51  0.51  1.0
  Mg  Mg4  1  0.42  0.63  0.02  1.0
  Mg  Mg5  1  0.42  0.63  0.24  1.0
  Mg  Mg6  1  0.42  0.83  0.83  1.0
  Sn  Sn7  1  0.0  0.89  0.89  1.0

Na Mg Mg Mg Mg Mg Mg Sn