data_NaBe2N3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2N3F8
_chemical_formula_sum   'Na1 Be2 N3 F8'
_cell_volume   203.67
_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  0.68  1.0
  Be  Be1  1  0.0  0.26  0.21  1.0
  Be  Be2  1  0.83  0.63  0.14  1.0
  N  N3  1  0.0  0.26  0.3  1.0
  N  N4  1  0.83  0.63  0.05  1.0
  N  N5  1  0.0  0.0  0.0  1.0
  F  F6  1  0.0  0.26  0.6  1.0
  F  F7  1  0.83  0.63  0.75  1.0
  F  F8  1  0.73  1.0  0.22  1.0
  F  F9  1  0.1  0.9  0.13  1.0
  F  F10  1  0.0  0.8  0.22  1.0
  F  F11  1  0.83  0.1  0.13  1.0
  F  F12  1  0.27  1.0  0.22  1.0
  F  F13  1  0.56  0.9  0.13  1.0

data_NaBe2N3F8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2N3F8
_chemical_formula_sum   'Na1 Be2 N3 F8'
_cell_volume   203.67
_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  0.68  1.0
  Be  Be1  1  0.0  0.26  0.21  1.0
  Be  Be2  1  0.83  0.63  0.14  1.0
  N  N3  1  0.0  0.0  0.0  1.0
  N  N4  1  0.0  0.26  0.3  1.0
  N  N5  1  0.83  0.63  0.05  1.0
  F  F6  1  0.0  0.26  0.6  1.0
  F  F7  1  0.0  0.8  0.22  1.0
  F  F8  1  0.1  0.9  0.13  1.0
  F  F9  1  0.27  1.0  0.22  1.0
  F  F10  1  0.56  0.9  0.13  1.0
  F  F11  1  0.73  1.0  0.22  1.0
  F  F12  1  0.83  0.1  0.13  1.0
  F  F13  1  0.83  0.63  0.75  1.0

Na Be Be N N N F F F F F F F F