data_Mn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   16.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Sn
_chemical_formula_sum   'Mn16 Sn8'
_cell_volume   363.86
_cell_formula_units_Z   8
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
  Mn  Mn0  1  0.0  0.92  0.37  1.0
  Mn  Mn1  1  0.53  0.46  0.09  1.0
  Mn  Mn2  1  0.53  0.46  0.14  1.0
  Mn  Mn3  1  0.0  0.92  0.33  1.0
  Mn  Mn4  1  0.26  0.19  0.23  1.0
  Mn  Mn5  1  0.53  0.0  0.23  1.0
  Mn  Mn6  1  0.74  0.19  0.23  1.0
  Mn  Mn7  1  0.26  0.19  0.0  1.0
  Mn  Mn8  1  0.53  0.0  0.0  1.0
  Mn  Mn9  1  0.74  0.19  0.0  1.0
  Mn  Mn10  1  0.72  0.65  0.35  1.0
  Mn  Mn11  1  0.0  0.44  0.35  1.0
  Mn  Mn12  1  0.28  0.65  0.35  1.0
  Mn  Mn13  1  0.8  0.72  0.12  1.0
  Mn  Mn14  1  0.53  0.93  0.12  1.0
  Mn  Mn15  1  0.25  0.72  0.12  1.0
  Sn  Sn16  1  0.0  0.0  0.78  1.0
  Sn  Sn17  1  0.0  0.0  0.69  1.0
  Sn  Sn18  1  0.0  0.0  0.54  1.0
  Sn  Sn19  1  0.0  0.0  0.93  1.0
  Sn  Sn20  1  0.0  0.92  0.67  1.0
  Sn  Sn21  1  0.53  0.46  0.8  1.0
  Sn  Sn22  1  0.53  0.46  0.91  1.0
  Sn  Sn23  1  0.0  0.92  0.56  1.0

data_Mn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   16.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Sn
_chemical_formula_sum   'Mn16 Sn8'
_cell_volume   363.86
_cell_formula_units_Z   8
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
  Mn  Mn0  1  0.0  0.44  0.35  1.0
  Mn  Mn1  1  0.0  0.92  0.33  1.0
  Mn  Mn2  1  0.0  0.92  0.37  1.0
  Mn  Mn3  1  0.25  0.72  0.12  1.0
  Mn  Mn4  1  0.26  0.19  0.0  1.0
  Mn  Mn5  1  0.26  0.19  0.23  1.0
  Mn  Mn6  1  0.28  0.65  0.35  1.0
  Mn  Mn7  1  0.53  0.0  0.0  1.0
  Mn  Mn8  1  0.53  0.0  0.23  1.0
  Mn  Mn9  1  0.53  0.46  0.09  1.0
  Mn  Mn10  1  0.53  0.46  0.14  1.0
  Mn  Mn11  1  0.53  0.93  0.12  1.0
  Mn  Mn12  1  0.72  0.65  0.35  1.0
  Mn  Mn13  1  0.74  0.19  0.0  1.0
  Mn  Mn14  1  0.74  0.19  0.23  1.0
  Mn  Mn15  1  0.8  0.72  0.12  1.0
  Sn  Sn16  1  0.0  0.0  0.54  1.0
  Sn  Sn17  1  0.0  0.0  0.69  1.0
  Sn  Sn18  1  0.0  0.0  0.78  1.0
  Sn  Sn19  1  0.0  0.0  0.93  1.0
  Sn  Sn20  1  0.0  0.92  0.56  1.0
  Sn  Sn21  1  0.0  0.92  0.67  1.0
  Sn  Sn22  1  0.53  0.46  0.8  1.0
  Sn  Sn23  1  0.53  0.46  0.91  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Sn Sn Sn Sn Sn Sn Sn Sn