data_TcNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNi2Sn
_chemical_formula_sum   'Tc1 Ni2 Sn1'
_cell_volume   56.45
_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  0.38  1.0
  Ni  Ni0  1  0.03  0.0  0.51  1.0
  Ni  Ni1  1  0.0  0.0  0.08  1.0
  Sn  Sn2  1  0.03  0.0  0.41  1.0

data_TcNi2Sn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TcNi2Sn
_chemical_formula_sum   'Tc1 Ni2 Sn1'
_cell_volume   56.49
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.38  1.0
  Ni  Ni1  1  0.0  0.0  0.08  1.0
  Ni  Ni2  1  0.03  0.0  0.51  1.0
  Sn  Sn3  1  0.03  0.0  0.41  1.0

Tc Ni Ni Sn