data_NaZr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Ag
_chemical_formula_sum   'Na1 Zr2 Ag1'
_cell_volume   89.03
_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  Na1  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.79  0.79  0.88  1.0
  Zr  Zr3  1  0.79  0.79  0.06  1.0
  Ag  Ag0  1  0.0  0.0  0.47  1.0

data_NaZr2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZr2Ag
_chemical_formula_sum   'Na2 Zr4 Ag2'
_cell_volume   178.05
_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  0.0  1.0
  Zr  Zr1  2  0.29  0.5  0.06  1.0
  Zr  Zr2  2  0.29  0.5  0.88  1.0
  Ag  Ag3  2  0.0  0.0  0.47  1.0

Na Zr Zr Ag
Na Zr Zr Ag 0 1 - - - 0 2 - - o 0 3 o o o 0 3 o o - 1 2 o o + 1 3 + + o 2 3 + + o 3 3 + o o 3 3 o + o 