data_MnIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91
_cell_length_b   9.91
_cell_length_c   9.91
_cell_angle_alpha   19.28
_cell_angle_beta   19.28
_cell_angle_gamma   19.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Sn
_chemical_formula_sum   'Mn1 In2 Sn1'
_cell_volume   92.59
_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  Mn2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.59  1.0
  In  In1  1  0.0  0.0  0.57  1.0
  Sn  Sn3  1  0.0  0.0  0.58  1.0

data_MnIn2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   3.32
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   101.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnIn2Sn
_chemical_formula_sum   'Mn2 In4 Sn2'
_cell_volume   185.18
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.41  1.0
  In  In2  2  0.0  0.0  0.43  1.0
  Sn  Sn3  2  0.0  0.0  0.42  1.0

Mn In In Sn
Mn In In Sn 0 0 o + - 0 0 + - o 0 0 + o - 1 3 o o o 2 3 o o o 