data_MgAlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   143.34
_cell_angle_beta   143.34
_cell_angle_gamma   52.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlSn
_chemical_formula_sum   'Mg1 Al1 Sn1'
_cell_volume   66.93
_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
  Mg  Mg1  1  0.0  0.0  0.77  1.0
  Al  Al0  1  0.0  0.0  0.01  1.0
  Sn  Sn2  1  0.0  0.0  0.5  1.0

data_MgAlSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   116.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAlSn
_chemical_formula_sum   'Mg2 Al2 Sn2'
_cell_volume   133.86
_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
  Mg  Mg0  2  0.0  0.0  0.23  1.0
  Al  Al1  2  0.0  0.0  0.99  1.0
  Sn  Sn2  2  0.0  0.0  0.5  1.0

Mg Al Sn
Mg Al Sn 0 2 o o o 0 1 o o + 