data_RbI4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67
_cell_length_b   8.67
_cell_length_c   8.67
_cell_angle_alpha   138.54
_cell_angle_beta   138.54
_cell_angle_gamma   60.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbI4N3
_chemical_formula_sum   'Rb1 I4 N3'
_cell_volume   282.35
_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
  Rb  Rb0  1  0.0  0.0  0.5  1.0
  I  I1  1  0.07  0.0  0.0  1.0
  I  I2  1  0.0  0.0  0.66  1.0
  I  I3  1  0.0  0.07  0.0  1.0
  I  I4  1  0.0  0.0  0.35  1.0
  N  N5  1  0.0  0.07  0.75  1.0
  N  N6  1  0.0  0.0  0.0  1.0
  N  N7  1  0.07  0.0  0.75  1.0

data_RbI4N3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   120.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RbI4N3
_chemical_formula_sum   'Rb2 I8 N6'
_cell_volume   564.71
_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
  Rb  Rb0  2  0.0  0.0  0.5  1.0
  I  I1  4  0.47  0.47  0.93  1.0
  I  I2  2  0.0  0.0  0.35  1.0
  I  I3  2  0.0  0.0  0.66  1.0
  N  N4  4  0.47  0.47  0.68  1.0
  N  N5  2  0.0  0.0  0.0  1.0

Rb I I I I N N N
Rb I I I I N N N 0 4 o o o 0 2 o o o 1 6 o o o 1 3 o o o 2 5 o o o 2 7 o o o 3 6 o o o 5 7 o o o 