data_[Cs6Mn2O8]
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 [Imm2]
_cell_length_a [6.4416]
_cell_length_b [8.9950]
_cell_length_c [6.8323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3MnO4]
_chemical_formula_sum '[Cs6 Mn2 O8]'
_cell_volume [395.8801]
_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  4  0.0000  0.2386  0.5490  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0497  1.0
  Mn  Mn2  2  0.0000  0.5000  0.0039  1.0
  O  O3  4  0.0000  0.3406  0.1443  1.0
  O  O4  4  0.2170  0.5000  0.8553  1.0
]