data_NaZr2MnF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   7.75
_cell_angle_alpha   111.06
_cell_angle_beta   111.06
_cell_angle_gamma   72.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2MnF11
_chemical_formula_sum   'Na1 Zr2 Mn1 F11'
_cell_volume   209.4
_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  0.8  0.0  0.47  1.0
  Zr  Zr13  1  0.48  0.0  0.06  1.0
  Zr  Zr14  1  0.13  0.0  0.87  1.0
  Mn  Mn11  1  0.53  0.0  0.0  1.0
  F  F0  1  0.8  0.83  0.47  1.0
  F  F1  1  0.8  0.17  0.47  1.0
  F  F2  1  0.79  0.0  0.16  1.0
  F  F3  1  0.89  0.66  0.57  1.0
  F  F4  1  0.89  0.34  0.57  1.0
  F  F5  1  0.33  0.0  0.87  1.0
  F  F6  1  0.0  0.0  0.0  1.0
  F  F7  1  0.27  0.0  0.06  1.0
  F  F8  1  0.72  0.66  0.36  1.0
  F  F9  1  0.72  0.34  0.36  1.0
  F  F10  1  0.82  0.0  0.77  1.0

data_NaZr2MnF11
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   7.75
_cell_angle_alpha   68.94
_cell_angle_beta   68.94
_cell_angle_gamma   72.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2MnF11
_chemical_formula_sum   'Na1 Zr2 Mn1 F11'
_cell_volume   209.4
_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  0.2  0.0  0.47  1.0
  Zr  Zr1  1  0.52  0.0  0.06  1.0
  Zr  Zr2  1  0.87  0.0  0.87  1.0
  Mn  Mn3  1  0.47  0.0  0.0  1.0
  F  F4  1  0.0  0.0  0.0  1.0
  F  F5  1  0.11  0.34  0.57  1.0
  F  F6  1  0.11  0.66  0.57  1.0
  F  F7  1  0.18  0.0  0.77  1.0
  F  F8  1  0.2  0.17  0.47  1.0
  F  F9  1  0.2  0.83  0.47  1.0
  F  F10  1  0.21  0.0  0.16  1.0
  F  F11  1  0.28  0.34  0.36  1.0
  F  F12  1  0.28  0.66  0.36  1.0
  F  F13  1  0.67  0.0  0.87  1.0
  F  F14  1  0.73  0.0  0.06  1.0

Na Zr Zr Mn F F F F F F F F F F F