data_NaTeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97
_cell_length_b   5.77
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTeF5
_chemical_formula_sum   'Na4 Te4 F20'
_cell_volume   395.77
_cell_formula_units_Z   4
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  Na20  1  0.98  0.44  0.22  1.0
  Na  Na21  1  0.96  0.44  0.22  1.0
  Na  Na22  1  0.0  0.33  0.66  1.0
  Na  Na23  1  0.99  0.33  0.66  1.0
  Te  Te24  1  0.32  0.33  0.06  1.0
  Te  Te25  1  0.31  0.33  0.38  1.0
  Te  Te26  1  0.66  0.44  0.5  1.0
  Te  Te27  1  0.64  0.44  0.82  1.0
  F  F0  1  0.65  0.99  0.33  1.0
  F  F1  1  0.65  0.67  0.33  1.0
  F  F2  1  0.02  0.44  0.84  1.0
  F  F3  1  0.92  0.97  0.95  1.0
  F  F4  1  0.92  0.69  0.95  1.0
  F  F5  1  0.91  0.97  0.49  1.0
  F  F6  1  0.91  0.69  0.49  1.0
  F  F7  1  0.04  0.44  0.6  1.0
  F  F8  1  0.63  0.99  0.11  1.0
  F  F9  1  0.63  0.67  0.11  1.0
  F  F10  1  0.34  0.1  0.77  1.0
  F  F11  1  0.34  0.78  0.77  1.0
  F  F12  1  0.93  0.33  0.28  1.0
  F  F13  1  0.06  0.08  0.39  1.0
  F  F14  1  0.06  0.81  0.39  1.0
  F  F15  1  0.04  0.08  0.92  1.0
  F  F16  1  0.04  0.81  0.92  1.0
  F  F17  1  0.95  0.33  0.04  1.0
  F  F18  1  0.32  0.1  0.55  1.0
  F  F19  1  0.32  0.78  0.55  1.0

data_NaTeF5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.77
_cell_length_b   6.88
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaTeF5
_chemical_formula_sum   'Na4 Te4 F20'
_cell_volume   395.77
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.06  0.78  0.5  1.0
  Na  Na1  2  0.06  0.78  0.48  1.0
  Te  Te2  2  0.06  0.06  0.18  1.0
  Te  Te3  2  0.06  0.38  0.16  1.0
  F  F4  2  0.06  0.16  0.55  1.0
  F  F5  2  0.06  0.4  0.54  1.0
  F  F6  2  0.28  0.67  0.15  1.0
  F  F7  2  0.28  0.89  0.16  1.0
  F  F8  2  0.31  0.05  0.42  1.0
  F  F9  2  0.31  0.51  0.44  1.0
  F  F10  2  0.4  0.11  0.84  1.0
  F  F11  2  0.4  0.33  0.85  1.0
  F  F12  2  0.42  0.49  0.56  1.0
  F  F13  2  0.42  0.95  0.58  1.0

Na Na Na Na Te Te Te Te F F F F F F F F F F F F F F F F F F F F