data_[Mn4Se4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0021]
_cell_length_b [7.2108]
_cell_length_c [9.5187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnSeO5]
_chemical_formula_sum '[Mn4 Se4 O20]'
_cell_volume [395.3051]
_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  4  0.1999  0.5458  0.6499  1
  Se  Se1  4  0.3538  0.2013  0.8885  1
  O  O2  4  0.1328  0.0577  0.9350  1
  O  O3  4  0.1935  0.2214  0.2207  1
  O  O4  4  0.2211  0.6443  0.8157  1
  O  O5  4  0.2499  0.7157  0.1036  1
  O  O6  4  0.4842  0.0007  0.8391  1
]