data_TiTc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   144.52
_cell_angle_beta   131.7
_cell_angle_gamma   61.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc2Sn
_chemical_formula_sum   'Ti1 Tc2 Sn1'
_cell_volume   64.53
_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  Ti3  1  0.0  0.0  0.48  1.0
  Tc  Tc1  1  0.0  0.0  0.07  1.0
  Tc  Tc2  1  0.62  0.0  0.26  1.0
  Sn  Sn0  1  0.0  0.18  0.33  1.0

data_TiTc2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.35
_cell_length_c   5.32
_cell_angle_alpha   114.15
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc2Sn
_chemical_formula_sum   'Ti1 Tc2 Sn1'
_cell_volume   64.53
_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  0.52  0.52  0.52  1.0
  Tc  Tc1  1  0.36  0.74  0.36  1.0
  Tc  Tc2  1  0.93  0.93  0.93  1.0
  Sn  Sn3  1  0.67  0.84  0.84  1.0

Ti Tc Tc Sn
Ti Tc Tc Sn 0 3 o o o 0 2 - o o 1 3 o o o 