data_NaZr2AgF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.75
_cell_length_c   7.75
_cell_angle_alpha   111.12
_cell_angle_beta   96.56
_cell_angle_gamma   106.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2AgF11
_chemical_formula_sum   'Na1 Zr2 Ag1 F11'
_cell_volume   217.72
_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  Na12  1  0.38  0.41  0.51  1.0
  Zr  Zr13  1  0.94  0.57  0.91  1.0
  Zr  Zr14  1  0.14  0.75  0.1  1.0
  Ag  Ag0  1  0.99  0.75  0.0  1.0
  F  F1  1  0.0  0.0  0.0  1.0
  F  F2  1  0.97  0.85  0.46  1.0
  F  F3  1  0.78  0.59  0.78  1.0
  F  F4  1  0.67  0.23  0.59  1.0
  F  F5  1  0.52  0.74  0.1  1.0
  F  F6  1  0.6  0.13  0.38  1.0
  F  F7  1  0.48  0.19  0.63  1.0
  F  F8  1  0.57  0.58  0.92  1.0
  F  F9  1  0.41  0.08  0.42  1.0
  F  F10  1  0.31  0.72  0.23  1.0
  F  F11  1  0.12  0.47  0.55  1.0

data_NaZr2AgF11
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.64
_cell_length_b   5.75
_cell_length_c   7.75
_cell_angle_alpha   111.12
_cell_angle_beta   96.56
_cell_angle_gamma   106.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2AgF11
_chemical_formula_sum   'Na1 Zr2 Ag1 F11'
_cell_volume   217.72
_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  0.38  0.41  0.51  1.0
  Zr  Zr1  1  0.14  0.75  0.1  1.0
  Zr  Zr2  1  0.94  0.57  0.91  1.0
  Ag  Ag3  1  0.99  0.75  -0.0  1.0
  F  F4  1  0.0  0.0  0.0  1.0
  F  F5  1  0.12  0.47  0.55  1.0
  F  F6  1  0.31  0.72  0.23  1.0
  F  F7  1  0.41  0.08  0.42  1.0
  F  F8  1  0.48  0.19  0.63  1.0
  F  F9  1  0.52  0.74  0.1  1.0
  F  F10  1  0.57  0.58  0.92  1.0
  F  F11  1  0.6  0.13  0.38  1.0
  F  F12  1  0.67  0.23  0.59  1.0
  F  F13  1  0.78  0.59  0.78  1.0
  F  F14  1  0.97  0.85  0.46  1.0

Na Zr Zr Ag F F F F F F F F F F F
Na Zr Zr Ag F F F F F F F F F F F 0 14 o o o 0 12 o o o 0 10 o o o 0 5 - - o 1 3 o o + 1 6 o o o 2 3 - o o 2 5 - o o 2 13 o o o 3 4 + + o 3 5 o o o 3 6 o o - 5 8 o o o 5 6 o o o 5 14 + + o 5 14 + o o 5 9 o + o 5 7 o + o 5 13 + o o 5 12 + + o 5 10 + + o 6 11 o o o 7 10 o o o 8 13 o o o 8 11 o o - 9 12 o o o 