data_[Mn4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1590]
_cell_length_b [17.3743]
_cell_length_c [17.3743]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnO]
_chemical_formula_sum '[Mn4 O4]'
_cell_volume [825.8331]
_cell_formula_units_Z [4]
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
[
  Mn  Mn0  1  0.3541  0.9083  0.5174  1
  Mn  Mn1  1  0.3999  0.0870  0.4793  1
  Mn  Mn2  1  0.8500  0.9067  0.3772  1
  Mn  Mn3  1  0.8718  0.0828  0.6409  1
  O  O4  1  0.3482  0.8474  0.3890  1
  O  O5  1  0.3731  0.0088  0.6355  1
  O  O6  1  0.8992  0.1371  0.5659  1
  O  O7  1  0.9037  0.0219  0.3947  1
]