data_[Mn10O10]
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 [Pm]
_cell_length_a [19.0534]
_cell_length_b [4.1400]
_cell_length_c [19.0534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnO]
_chemical_formula_sum '[Mn10 O10]'
_cell_volume [1301.6022]
_cell_formula_units_Z [10]
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  0.2546  0.5000  0.3796  1
  Mn  Mn1  1  0.2889  0.0000  0.2863  1
  Mn  Mn2  1  0.3843  0.0000  0.4783  1
  Mn  Mn3  1  0.4207  0.5000  0.3794  1
  Mn  Mn4  1  0.4535  0.5000  0.6099  1
  Mn  Mn5  1  0.5368  0.0000  0.3835  1
  Mn  Mn6  1  0.5798  0.0000  0.6993  1
  Mn  Mn7  1  0.6617  0.5000  0.4766  1
  Mn  Mn8  1  0.6926  0.5000  0.6992  1
  Mn  Mn9  1  0.7261  0.0000  0.6070  1
  O  O10  1  0.2544  0.0000  0.3799  1
  O  O11  1  0.2890  0.5000  0.2859  1
  O  O12  1  0.3849  0.5000  0.4779  1
  O  O13  1  0.4208  0.0000  0.3803  1
  O  O14  1  0.4527  0.0000  0.6103  1
  O  O15  1  0.5365  0.5000  0.3823  1
  O  O16  1  0.5801  0.5000  0.7003  1
  O  O17  1  0.6624  0.0000  0.4765  1
  O  O18  1  0.6934  0.0000  0.7001  1
  O  O19  1  0.7271  0.5000  0.6073  1
]