data_Li2ReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReSi
_chemical_formula_sum   'Li2 Re1 Si1'
_cell_volume   56.38
_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  0.22  0.23  0.29  1.0
  Li  Li1  1  0.22  0.77  0.29  1.0
  Re  Re2  1  0.45  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Li2ReSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.89
_cell_length_c   5.09
_cell_angle_alpha   118.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReSi
_chemical_formula_sum   'Li2 Re1 Si1'
_cell_volume   56.38
_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  0.29  0.23  0.46  1.0
  Li  Li1  1  0.29  0.77  0.99  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.45  1.0

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