data_NaSrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrN
_chemical_formula_sum   'Na2 Sr2 N2'
_cell_volume   141.19
_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
  Na  Na0  1  1.0  0.15  0.39  1.0
  Na  Na1  1  0.0  0.3  0.27  1.0
  Sr  Sr2  1  0.0  0.0  0.25  1.0
  Sr  Sr3  1  0.0  0.0  0.13  1.0
  N  N4  1  0.0  0.3  0.24  1.0
  N  N5  1  1.0  0.15  0.12  1.0

data_NaSrN
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   6.91
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSrN
_chemical_formula_sum   'Na4 Sr4 N4'
_cell_volume   282.38
_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
  Na  Na0  2  0.16  0.0  0.39  1.0
  Na  Na1  2  0.31  0.0  0.27  1.0
  Sr  Sr2  2  0.0  0.0  0.13  1.0
  Sr  Sr3  2  0.0  0.0  0.25  1.0
  N  N4  2  0.16  0.0  0.12  1.0
  N  N5  2  0.31  0.0  0.24  1.0

Na Na Sr Sr N N
Na Na Sr Sr N N 0 4 + o o 0 1 + o o 0 2 + o o 1 4 o o o 1 2 o o o 2 4 o o o 2 3 o o o 3 5 - o o 