data_LiTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51
_cell_length_b   2.51
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcNi2
_chemical_formula_sum   'Li1 Tc1 Ni2'
_cell_volume   49.88
_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
  Li  Li0  1  0.0  0.0  0.08  1.0
  Tc  Tc3  1  0.46  0.0  0.23  1.0
  Ni  Ni1  1  0.46  0.0  0.34  1.0
  Ni  Ni2  1  0.0  0.0  0.27  1.0

data_LiTcNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   2.51
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcNi2
_chemical_formula_sum   'Li1 Tc1 Ni2'
_cell_volume   49.88
_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
  Li  Li0  1  0.0  0.0  0.08  1.0
  Tc  Tc1  1  0.46  0.0  0.23  1.0
  Ni  Ni2  1  0.0  0.0  0.27  1.0
  Ni  Ni3  1  0.46  0.0  0.34  1.0

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