data_NaTiRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   7.74
_cell_length_c   2.84
_cell_angle_alpha   83.6
_cell_angle_beta   75.61
_cell_angle_gamma   20.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiRe
_chemical_formula_sum   'Na1 Ti1 Re1'
_cell_volume   56.09
_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  0.56  0.37  0.08  1.0
  Ti  Ti2  1  0.56  0.37  0.71  1.0
  Re  Re1  1  0.56  0.37  0.38  1.0

data_NaTiRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.13
_cell_length_b   15.16
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   123.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTiRe
_chemical_formula_sum   'Na2 Ti2 Re2'
_cell_volume   112.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.08  0.0  0.64  1.0
  Ti  Ti1  2  0.21  0.5  0.27  1.0
  Re  Re2  2  0.38  0.0  0.94  1.0

Na Ti Re