data_NaYRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYRe2
_chemical_formula_sum   'Na1 Y1 Re2'
_cell_volume   80.47
_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  0.34  1.0
  Y  Y3  1  0.6  0.0  0.69  1.0
  Re  Re1  1  0.6  0.0  0.18  1.0
  Re  Re2  1  0.0  0.0  0.16  1.0

data_NaYRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYRe2
_chemical_formula_sum   'Na1 Y1 Re2'
_cell_volume   80.47
_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  0.34  1.0
  Y  Y1  1  0.6  0.0  0.69  1.0
  Re  Re2  1  0.0  0.0  0.16  1.0
  Re  Re3  1  0.6  0.0  0.18  1.0

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