data_NaReAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   154.64
_cell_angle_beta   128.08
_cell_angle_gamma   58.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReAg2
_chemical_formula_sum   'Na1 Re1 Ag2'
_cell_volume   76.31
_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  Na2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.32  1.0
  Ag  Ag0  1  0.34  0.0  0.86  1.0
  Ag  Ag1  1  0.0  0.67  0.47  1.0

data_NaReAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.35
_cell_length_c   6.11
_cell_angle_alpha   115.96
_cell_angle_beta   102.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReAg2
_chemical_formula_sum   'Na1 Re1 Ag2'
_cell_volume   76.31
_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
  Re  Re1  1  0.68  0.68  0.68  1.0
  Ag  Ag2  1  0.48  0.14  0.48  1.0
  Ag  Ag3  1  0.53  0.21  0.21  1.0

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