data_MgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   8.07
_cell_angle_alpha   108.35
_cell_angle_beta   108.35
_cell_angle_gamma   33.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn
_chemical_formula_sum   'Mg3 Sn3'
_cell_volume   147.82
_cell_formula_units_Z   3
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  Mg0  1  0.7  0.0  0.56  1.0
  Mg  Mg1  1  0.9  0.0  0.63  1.0
  Mg  Mg2  1  0.82  0.0  0.21  1.0
  Sn  Sn3  1  0.53  0.0  0.61  1.0
  Sn  Sn4  1  0.65  0.0  0.16  1.0
  Sn  Sn5  1  0.9  0.0  0.07  1.0

data_MgSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.94
_cell_length_c   8.07
_cell_angle_alpha   108.35
_cell_angle_beta   90.0
_cell_angle_gamma   106.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn
_chemical_formula_sum   'Mg3 Sn3'
_cell_volume   147.82
_cell_formula_units_Z   3
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  Mg0  1  0.0  0.1  0.37  1.0
  Mg  Mg1  1  0.0  0.18  0.79  1.0
  Mg  Mg2  1  0.0  0.3  0.44  1.0
  Sn  Sn3  1  0.0  0.1  0.93  1.0
  Sn  Sn4  1  0.0  0.35  0.84  1.0
  Sn  Sn5  1  0.0  0.47  0.39  1.0

Mg Mg Mg Sn Sn Sn
Mg Mg Mg Sn Sn Sn 0 3 o o o 0 1 o o o 2 4 o o o 2 5 o o o 