data_[Cs2Mn8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1255]
_cell_length_b [5.9845]
_cell_length_c [8.0816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsMn4O8]
_chemical_formula_sum '[Cs2 Mn8 O16]'
_cell_volume [443.0965]
_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  0.5000  0.5000  1
  Mn  Mn1  4  0.2500  0.2500  0.0000  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  Mn  Mn3  2  0.0000  0.5000  0.0000  1
  O  O4  8  0.0412  0.2665  0.8629  1
  O  O5  4  0.2106  0.0000  0.1298  1
  O  O6  4  0.2141  0.5000  0.1355  1
]