data_MgOsN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   9.22
_cell_angle_alpha   119.05
_cell_angle_beta   119.05
_cell_angle_gamma   20.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOsN
_chemical_formula_sum   'Mg4 Os4 N4'
_cell_volume   179.38
_cell_formula_units_Z   4
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
  Mg  Mg0  1  0.73  0.0  0.62  1.0
  Mg  Mg1  1  0.41  0.0  0.4  1.0
  Mg  Mg2  1  0.58  0.0  0.6  1.0
  Mg  Mg3  1  0.55  0.0  0.42  1.0
  Os  Os4  1  0.5  0.0  0.34  1.0
  Os  Os5  1  0.64  0.0  0.68  1.0
  Os  Os6  1  0.07  0.0  0.96  1.0
  Os  Os7  1  0.07  0.0  0.06  1.0
  N  N8  1  0.4  0.0  0.36  1.0
  N  N9  1  0.74  0.0  0.66  1.0
  N  N10  1  0.11  0.0  0.03  1.0
  N  N11  1  0.02  0.0  0.99  1.0

data_MgOsN
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.85
_cell_length_b   7.97
_cell_length_c   8.78
_cell_angle_alpha   66.55
_cell_angle_beta   80.66
_cell_angle_gamma   79.7
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgOsN
_chemical_formula_sum   'Mg4 Os4 N4'
_cell_volume   179.38
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
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
  Mg  Mg0  2  0.0  0.05  0.61  1.0
  Mg  Mg1  2  0.0  0.07  0.41  1.0
  Os  Os2  2  0.0  0.05  0.95  1.0
  Os  Os3  2  0.0  0.1  0.33  1.0
  N  N4  2  0.0  0.02  0.65  1.0
  N  N5  2  0.0  0.02  0.02  1.0

Mg Mg Mg Mg Os Os Os Os N N N N
Mg Mg Mg Mg Os Os Os Os N N N N 0 9 o o o 1 8 o o o 2 5 o o o 3 4 o o o 6 11 o o o 6 10 o o + 7 11 o o - 7 10 o o o 10 11 o o - 