data_Mg5MnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   7.25
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5MnN4
_chemical_formula_sum   'Mg10 Mn2 N8'
_cell_volume   252.44
_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
  Mg  Mg0  1  0.69  0.21  0.88  1.0
  Mg  Mg1  1  0.69  0.05  0.88  1.0
  Mg  Mg2  1  0.04  0.21  0.88  1.0
  Mg  Mg3  1  0.04  0.05  0.88  1.0
  Mg  Mg4  1  0.68  0.42  0.29  1.0
  Mg  Mg5  1  0.68  0.83  0.29  1.0
  Mg  Mg6  1  0.05  0.42  0.29  1.0
  Mg  Mg7  1  0.05  0.83  0.29  1.0
  Mg  Mg8  1  0.36  0.63  0.44  1.0
  Mg  Mg9  1  0.0  0.0  0.74  1.0
  Mn  Mn10  1  0.0  0.63  0.49  1.0
  Mn  Mn11  1  0.36  0.0  0.68  1.0
  N  N12  1  0.07  0.63  0.25  1.0
  N  N13  1  0.66  0.63  0.25  1.0
  N  N14  1  0.02  0.0  0.92  1.0
  N  N15  1  0.71  0.0  0.92  1.0
  N  N16  1  0.36  0.83  0.57  1.0
  N  N17  1  0.36  0.42  0.57  1.0
  N  N18  1  0.0  0.79  0.6  1.0
  N  N19  1  0.0  0.46  0.6  1.0

data_Mg5MnN4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   6.73
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5MnN4
_chemical_formula_sum   'Mg10 Mn2 N8'
_cell_volume   252.44
_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
  Mg  Mg0  1  0.29  0.05  0.42  1.0
  Mg  Mg1  1  0.29  0.05  0.83  1.0
  Mg  Mg2  1  0.29  0.68  0.42  1.0
  Mg  Mg3  1  0.29  0.68  0.83  1.0
  Mg  Mg4  1  0.44  0.36  0.63  1.0
  Mg  Mg5  1  0.74  0.0  0.0  1.0
  Mg  Mg6  1  0.88  0.04  0.05  1.0
  Mg  Mg7  1  0.88  0.04  0.21  1.0
  Mg  Mg8  1  0.88  0.69  0.05  1.0
  Mg  Mg9  1  0.88  0.69  0.21  1.0
  Mn  Mn10  1  0.49  -0.0  0.63  1.0
  Mn  Mn11  1  0.68  0.36  0.0  1.0
  N  N12  1  0.25  0.07  0.63  1.0
  N  N13  1  0.25  0.66  0.63  1.0
  N  N14  1  0.57  0.36  0.42  1.0
  N  N15  1  0.57  0.36  0.83  1.0
  N  N16  1  0.6  -0.0  0.46  1.0
  N  N17  1  0.6  -0.0  0.79  1.0
  N  N18  1  0.92  0.02  0.0  1.0
  N  N19  1  0.92  0.71  0.0  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mn Mn N N N N N N N N