data_NaTi2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.29
_cell_angle_alpha   91.45
_cell_angle_beta   91.45
_cell_angle_gamma   33.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2Re
_chemical_formula_sum   'Na1 Ti2 Re1'
_cell_volume   74.18
_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
  Ti  Ti2  1  0.64  0.0  0.9  1.0
  Ti  Ti3  1  0.06  0.0  0.39  1.0
  Re  Re1  1  0.35  0.0  0.15  1.0

data_NaTi2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.63
_cell_length_c   6.29
_cell_angle_alpha   91.45
_cell_angle_beta   90.0
_cell_angle_gamma   106.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2Re
_chemical_formula_sum   'Na1 Ti2 Re1'
_cell_volume   74.18
_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
  Ti  Ti1  1  0.0  0.36  0.1  1.0
  Ti  Ti2  1  0.0  0.94  0.61  1.0
  Re  Re3  1  0.0  0.65  0.85  1.0

Na Ti Ti Re