data_SrZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   31.51
_cell_angle_beta   31.51
_cell_angle_gamma   31.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrN2
_chemical_formula_sum   'Sr1 Zr1 N2'
_cell_volume   59.4
_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
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.91  1.0
  N  N0  1  0.0  0.0  0.66  1.0
  N  N1  1  0.0  0.0  0.17  1.0

data_SrZrN2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   3.4
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   108.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZrN2
_chemical_formula_sum   'Sr2 Zr2 N4'
_cell_volume   118.81
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.0  0.0  0.09  1.0
  N  N2  2  0.0  0.0  0.34  1.0
  N  N3  2  0.0  0.0  0.83  1.0

Sr Zr N N