data_Na2TiRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   4.41
_cell_angle_alpha   105.76
_cell_angle_beta   105.76
_cell_angle_gamma   28.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiRe
_chemical_formula_sum   'Na2 Ti1 Re1'
_cell_volume   75.25
_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  0.93  0.0  0.12  1.0
  Na  Na1  1  0.74  0.0  0.11  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.34  0.0  0.12  1.0

data_Na2TiRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.41
_cell_length_c   6.14
_cell_angle_alpha   105.76
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiRe
_chemical_formula_sum   'Na2 Ti1 Re1'
_cell_volume   75.25
_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  0.11  0.74  1.0
  Na  Na1  1  0.0  0.12  0.93  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.12  0.34  1.0

Na Na Ti Re
Na Na Ti Re 0 2 + o o 0 1 o o o 2 3 o o o 