data_Na2YRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.19
_cell_length_b   12.19
_cell_length_c   12.19
_cell_angle_alpha   13.91
_cell_angle_beta   13.91
_cell_angle_gamma   13.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YRe
_chemical_formula_sum   'Na2 Y1 Re1'
_cell_volume   91.14
_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  0.35  1.0
  Na  Na1  1  0.0  0.0  0.86  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.11  1.0

data_Na2YRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   12.19
_cell_angle_alpha   90.0
_cell_angle_beta   98.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2YRe
_chemical_formula_sum   'Na4 Y2 Re2'
_cell_volume   182.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.14  1.0
  Na  Na1  2  0.0  0.0  0.65  1.0
  Y  Y2  2  0.0  0.0  0.0  1.0
  Re  Re3  2  0.0  0.0  0.89  1.0

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