data_Tc2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2NiSb
_chemical_formula_sum   'Tc2 Ni1 Sb1'
_cell_volume   61.36
_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  Tc2  1  0.34  0.14  0.54  1.0
  Tc  Tc3  1  0.34  0.86  0.54  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.68  0.0  0.0  1.0

data_Tc2NiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   108.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2NiSb
_chemical_formula_sum   'Tc2 Ni1 Sb1'
_cell_volume   61.36
_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  0.54  0.34  0.14  1.0
  Tc  Tc1  1  0.54  0.34  0.86  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.68  0.0  1.0

Tc Tc Ni Sb