data_Li2ReTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.59
_cell_angle_alpha   98.69
_cell_angle_beta   98.69
_cell_angle_gamma   30.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReTc
_chemical_formula_sum   'Li2 Re1 Tc1'
_cell_volume   57.86
_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  0.89  0.0  0.4  1.0
  Li  Li1  1  0.1  0.0  0.14  1.0
  Re  Re2  1  0.49  0.0  0.27  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Li2ReTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.59
_cell_length_c   5.03
_cell_angle_alpha   98.69
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReTc
_chemical_formula_sum   'Li2 Re1 Tc1'
_cell_volume   57.86
_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  0.14  0.1  1.0
  Li  Li1  1  0.0  0.4  0.89  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.27  0.49  1.0

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