data_Mg2MnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   60.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnN3
_chemical_formula_sum   'Mg4 Mn2 N6'
_cell_volume   143.95
_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  0.36  0.9  0.63  1.0
  Mg  Mg1  1  0.61  0.9  0.63  1.0
  Mg  Mg2  1  0.61  0.1  0.15  1.0
  Mg  Mg3  1  0.36  0.1  0.15  1.0
  Mn  Mn4  1  0.99  0.02  0.58  1.0
  Mn  Mn5  1  0.99  0.98  0.1  1.0
  N  N6  1  0.51  0.85  0.49  1.0
  N  N7  1  0.46  0.85  0.49  1.0
  N  N8  1  0.46  0.15  0.97  1.0
  N  N9  1  0.51  0.15  0.97  1.0
  N  N10  1  0.99  0.28  0.76  1.0
  N  N11  1  0.99  0.72  0.24  1.0

data_Mg2MnN3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   119.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnN3
_chemical_formula_sum   'Mg4 Mn2 N6'
_cell_volume   143.95
_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  0.37  0.36  0.1  1.0
  Mg  Mg1  1  0.37  0.61  0.1  1.0
  Mg  Mg2  1  0.85  0.36  0.9  1.0
  Mg  Mg3  1  0.85  0.61  0.9  1.0
  Mn  Mn4  1  0.42  0.99  0.98  1.0
  Mn  Mn5  1  0.9  0.99  0.02  1.0
  N  N6  1  0.03  0.46  0.85  1.0
  N  N7  1  0.03  0.51  0.85  1.0
  N  N8  1  0.24  0.99  0.72  1.0
  N  N9  1  0.51  0.46  0.15  1.0
  N  N10  1  0.51  0.51  0.15  1.0
  N  N11  1  0.76  0.99  0.28  1.0

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