data_Mn2ZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   138.86
_cell_angle_beta   133.82
_cell_angle_gamma   63.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnSn
_chemical_formula_sum   'Mn2 Zn1 Sn1'
_cell_volume   62.71
_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
  Mn  Mn0  1  0.0  0.01  0.03  1.0
  Mn  Mn1  1  0.0  0.0  0.21  1.0
  Zn  Zn3  1  0.0  0.0  0.48  1.0
  Sn  Sn2  1  0.0  0.01  0.33  1.0

data_Mn2ZnSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.01
_cell_length_c   5.12
_cell_angle_alpha   113.09
_cell_angle_beta   110.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnSn
_chemical_formula_sum   'Mn2 Zn1 Sn1'
_cell_volume   62.71
_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
  Mn  Mn0  1  0.79  0.79  0.79  1.0
  Mn  Mn1  1  0.97  0.97  0.97  1.0
  Zn  Zn2  1  0.52  0.52  0.52  1.0
  Sn  Sn3  1  0.67  0.68  0.68  1.0

Mn Mn Zn Sn