data_LiTc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2Rh
_chemical_formula_sum   'Li1 Tc2 Rh1'
_cell_volume   55.68
_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  0.0  1.0
  Tc  Tc2  1  0.23  0.87  0.33  1.0
  Tc  Tc3  1  0.23  0.13  0.33  1.0
  Rh  Rh1  1  0.46  0.0  0.0  1.0

data_LiTc2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   119.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2Rh
_chemical_formula_sum   'Li1 Tc2 Rh1'
_cell_volume   55.68
_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  0.0  1.0
  Tc  Tc1  1  0.33  0.23  0.87  1.0
  Tc  Tc2  1  0.33  0.23  0.13  1.0
  Rh  Rh3  1  0.0  0.46  0.0  1.0

Li Tc Tc Rh
Li Tc Tc Rh 0 2 o o o 1 2 o + o 1 3 o + o 