data_[Mg15Mn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3374]
_cell_length_b [6.3374]
_cell_length_c [10.1610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg15Mn]
_chemical_formula_sum '[Mg15 Mn1]'
_cell_volume [353.4131]
_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
[
  Mg  Mg0  6  0.1641  0.3281  0.2460  1.0
  Mg  Mg1  3  0.0002  0.5001  0.5000  1.0
  Mg  Mg2  3  0.0002  0.5001  0.0000  1.0
  Mg  Mg3  2  0.6667  0.3333  0.2509  1.0
  Mg  Mg4  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn5  1  0.0000  0.0000  0.0000  1.0
]