data_MgMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.96
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn
_chemical_formula_sum   'Mg2 Mn2'
_cell_volume   68.8
_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  0.0  0.0  0.87  1.0
  Mg  Mg1  1  0.46  0.98  0.08  1.0
  Mn  Mn2  1  0.0  0.0  0.66  1.0
  Mn  Mn3  1  0.46  0.98  0.28  1.0

data_MgMn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.92
_cell_length_b   3.96
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgMn
_chemical_formula_sum   'Mg2 Mn2'
_cell_volume   68.8
_cell_formula_units_Z   2
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  0.23  0.49  0.61  1.0
  Mn  Mn1  2  0.23  0.49  0.81  1.0

Mg Mg Mn Mn