data_NaLiRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.88
_cell_angle_alpha   91.53
_cell_angle_beta   91.53
_cell_angle_gamma   31.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiRe2
_chemical_formula_sum   'Na1 Li1 Re2'
_cell_volume   67.69
_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  0.71  0.0  0.59  1.0
  Li  Li0  1  0.46  0.0  0.99  1.0
  Re  Re2  1  0.82  0.0  0.55  1.0
  Re  Re3  1  0.07  0.0  0.56  1.0

data_NaLiRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.67
_cell_length_c   5.88
_cell_angle_alpha   91.53
_cell_angle_beta   90.0
_cell_angle_gamma   105.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiRe2
_chemical_formula_sum   'Na1 Li1 Re2'
_cell_volume   67.69
_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  0.29  0.41  1.0
  Li  Li1  1  0.0  0.54  0.01  1.0
  Re  Re2  1  0.0  0.18  0.45  1.0
  Re  Re3  1  0.0  0.93  0.44  1.0

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