data_[Mg8Mn6]
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 [P2_1/m]
_cell_length_a [7.6825]
_cell_length_b [4.4935]
_cell_length_c [7.8022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg4Mn3]
_chemical_formula_sum '[Mg8 Mn6]'
_cell_volume [237.0130]
_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  2  0.0651  0.2500  0.1491  1
  Mg  Mg1  2  0.1427  0.7500  0.5813  1
  Mg  Mg2  2  0.1731  0.2500  0.8302  1
  Mg  Mg3  2  0.4094  0.7500  0.0592  1
  Mn  Mn4  2  0.2981  0.7500  0.3397  1
  Mn  Mn5  2  0.3691  0.2500  0.5303  1
  Mn  Mn6  2  0.4671  0.2500  0.2912  1
]