data_[Mg10Mn8]
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 [I4/mmm]
_cell_length_a [8.7724]
_cell_length_b [8.7724]
_cell_length_c [4.1203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Mg5Mn4]
_chemical_formula_sum '[Mg10 Mn8]'
_cell_volume [317.0807]
_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  8  0.1715  0.1715  0.5000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  8  0.0000  0.3516  0.0000  1
]