data_NaLi2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49
_cell_length_b   4.54
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Re
_chemical_formula_sum   'Na1 Li2 Re1'
_cell_volume   69.8
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Li  Li0  1  0.59  0.27  0.27  1.0
  Li  Li1  1  0.76  0.27  0.91  1.0
  Re  Re3  1  0.43  0.0  0.09  1.0

data_NaLi2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   4.54
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Re
_chemical_formula_sum   'Na1 Li2 Re1'
_cell_volume   69.8
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.59  0.27  0.27  1.0
  Li  Li2  1  0.76  0.27  0.91  1.0
  Re  Re3  1  0.43  0.0  0.09  1.0

Na Li Li Re
Na Li Li Re 0 3 o o o 0 2 - o - 1 3 o o o 