data_Na2YRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   5.66
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YRe
_chemical_formula_sum   'Na2 Y1 Re1'
_cell_volume   91.53
_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  0.41  0.83  0.57  1.0
  Na  Na1  1  0.41  0.83  0.14  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.86  1.0

data_Na2YRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.66
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YRe
_chemical_formula_sum   'Na2 Y1 Re1'
_cell_volume   91.53
_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  0.41  0.83  0.14  1.0
  Na  Na1  1  0.41  0.83  0.57  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.86  1.0

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