data_SrZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrN2
_chemical_formula_sum   'Sr2 Zr2 N4'
_cell_volume   139.34
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.0  0.04  0.35  1.0
  Sr  Sr1  1  0.04  0.0  0.99  1.0
  Zr  Zr2  1  0.0  0.04  0.79  1.0
  Zr  Zr3  1  0.04  0.0  0.55  1.0
  N  N4  1  0.0  0.0  0.0  1.0
  N  N5  1  0.04  0.04  0.0  1.0
  N  N6  1  0.0  0.04  0.82  1.0
  N  N7  1  0.04  0.0  0.52  1.0

data_SrZrN2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZrN2
_chemical_formula_sum   'Sr4 Zr4 N8'
_cell_volume   278.67
_cell_formula_units_Z   4
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
  Sr  Sr0  2  0.0  0.0  0.35  1.0
  Sr  Sr1  2  0.04  0.0  0.99  1.0
  Zr  Zr2  2  0.0  0.0  0.79  1.0
  Zr  Zr3  2  0.04  0.0  0.55  1.0
  N  N4  4  0.02  0.02  0.0  1.0
  N  N5  2  0.0  0.0  0.82  1.0
  N  N6  2  0.04  0.0  0.52  1.0

Sr Sr Zr Zr N N N N
Sr Sr Zr Zr N N N N 0 7 o o o 0 3 o o o 1 4 o o + 1 5 o o + 2 6 o o o 3 7 o o o 