data_[Mg1Mn4O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1950]
_cell_length_b [5.3204]
_cell_length_c [5.8191]
_cell_angle_alpha [88.8212]
_cell_angle_beta [64.0808]
_cell_angle_gamma [62.7562]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgMn4O6]
_chemical_formula_sum '[Mg1 Mn4 O6]'
_cell_volume [125.3260]
_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  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn1  2  0.2701  0.8695  0.6163  1.0
  Mn  Mn2  2  0.3612  0.3153  0.9725  1.0
  O  O3  2  0.1798  0.1161  0.2428  1.0
  O  O4  2  0.2160  0.2685  0.7261  1.0
  O  O5  2  0.4548  0.4531  0.2336  1.0
]