data_TiMn(Ni2Sn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   7.43
_cell_angle_alpha   33.73
_cell_angle_beta   33.73
_cell_angle_gamma   33.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn(Ni2Sn)2
_chemical_formula_sum   'Ti1 Mn1 Ni4 Sn2'
_cell_volume   112.5
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.49  1.0
  Ni  Ni2  1  0.0  0.0  0.41  1.0
  Ni  Ni3  1  0.0  0.0  0.83  1.0
  Ni  Ni4  1  0.0  0.0  0.16  1.0
  Ni  Ni5  1  0.0  0.0  0.58  1.0
  Sn  Sn6  1  0.0  0.0  0.21  1.0
  Sn  Sn7  1  0.0  0.0  0.78  1.0

data_TiMn(Ni2Sn)2
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   7.46
_cell_length_b   4.31
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   TiMn(Ni2Sn)2
_chemical_formula_sum   'Ti2 Mn2 Ni8 Sn4'
_cell_volume   225.0
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.5  1.0
  Ni  Ni2  4  -0.0  0.0  0.41  1.0
  Ni  Ni3  4  0.0  0.0  0.17  1.0
  Sn  Sn4  4  -0.0  0.0  0.21  1.0

Ti Mn Ni Ni Ni Ni Sn Sn
Ti Mn Ni Ni Ni Ni Sn Sn 0 3 o o - 0 4 o o o 1 2 o o o 1 5 o o o 3 7 o o o 4 6 o o o 