data_TcNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.63
_cell_angle_alpha   100.38
_cell_angle_beta   100.38
_cell_angle_gamma   37.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNi2Sn
_chemical_formula_sum   'Tc1 Ni2 Sn1'
_cell_volume   57.55
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.24  0.0  0.0  1.0
  Ni  Ni1  1  0.51  0.0  0.54  1.0
  Sn  Sn2  1  0.87  0.0  0.27  1.0

data_TcNi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.56
_cell_length_c   4.63
_cell_angle_alpha   100.38
_cell_angle_beta   90.0
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNi2Sn
_chemical_formula_sum   'Tc1 Ni2 Sn1'
_cell_volume   57.55
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.49  0.46  1.0
  Ni  Ni2  1  0.0  0.76  1.0  1.0
  Sn  Sn3  1  0.0  0.13  0.73  1.0

Tc Ni Ni Sn
Tc Ni Ni Sn 0 1 o o o 0 2 - o - 0 3 - o o 1 2 o o o 1 2 o o - 2 3 - o o 2 3 o o o 2 2 + - o 