data_NaLiRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiRe2
_chemical_formula_sum   'Na1 Li1 Re2'
_cell_volume   68.05
_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  Na1  1  0.48  0.0  0.48  1.0
  Li  Li0  1  0.0  0.0  0.34  1.0
  Re  Re2  1  0.0  0.0  0.8  1.0
  Re  Re3  1  0.48  0.0  0.64  1.0

data_NaLiRe2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.71
_cell_length_b   10.1
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   113.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   NaLiRe2
_chemical_formula_sum   'Na1 Li1 Re2'
_cell_volume   68.05
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.52  0.0  1.0
  Li  Li1  1  0.5  0.66  0.0  1.0
  Re  Re2  1  0.0  0.36  0.0  1.0
  Re  Re3  1  0.5  0.2  0.0  1.0

Na Li Re Re