data_NaY2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.52
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   92.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Re
_chemical_formula_sum   'Na1 Y2 Re1'
_cell_volume   104.2
_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
  Y  Y2  1  0.5  0.76  0.85  1.0
  Y  Y3  1  0.61  0.76  0.63  1.0
  Re  Re1  1  0.81  0.0  0.24  1.0

data_NaY2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.52
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   92.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Re
_chemical_formula_sum   'Na1 Y2 Re1'
_cell_volume   104.2
_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
  Y  Y1  1  0.5  0.76  0.85  1.0
  Y  Y2  1  0.61  0.76  0.63  1.0
  Re  Re3  1  0.81  0.0  0.24  1.0

Na Y Y Re
Na Y Y Re 0 1 - - - 0 1 o - - 0 3 - o o 1 2 o o o 