data_SrMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMoN3
_chemical_formula_sum   'Sr1 Mo1 N3'
_cell_volume   67.81
_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  Sr0  1  0.01  0.0  0.0  1.0
  Mo  Mo1  1  0.54  0.5  0.5  1.0
  N  N2  1  0.48  0.0  0.5  1.0
  N  N3  1  0.48  0.5  0.0  1.0
  N  N4  1  0.99  0.5  0.5  1.0

data_SrMoN3
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   SrMoN3
_chemical_formula_sum   'Sr1 Mo1 N3'
_cell_volume   67.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.0  0.01  1.0
  Mo  Mo1  1  0.5  0.5  0.54  1.0
  N  N2  2  0.0  0.5  0.48  1.0
  N  N3  1  0.5  0.5  0.99  1.0

Sr Mo N N N