data_[Cs2Mn8H2O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.1396]
_cell_length_b [8.7698]
_cell_length_c [6.5539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsMn4HO10]
_chemical_formula_sum '[Cs2 Mn8 H2 O20]'
_cell_volume [498.1931]
_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
[
  Cs  Cs0  2  0.0000  0.9998  0.0000  1
  Mn  Mn1  4  0.1835  0.3742  0.3899  1
  Mn  Mn2  2  0.0000  0.5767  0.0000  1
  Mn  Mn3  2  0.0000  0.6669  0.5000  1
  H  H4  2  0.0000  0.2210  0.5000  1
  O  O5  4  0.0565  0.2286  0.3582  1
  O  O6  4  0.0573  0.6764  0.8083  1
  O  O7  4  0.1308  0.8316  0.4713  1
  O  O8  4  0.1551  0.5147  0.5571  1
  O  O9  4  0.1642  0.4569  0.1405  1
]