data_[Cs3Pa2Mn1O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1045]
_cell_length_b [6.1045]
_cell_length_c [7.4687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Pa2MnO9]
_chemical_formula_sum '[Cs3 Pa2 Mn1 O9]'
_cell_volume [241.0303]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.6655  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Pa  Pa2  2  0.3333  0.6667  0.1830  1
  Mn  Mn3  1  0.0000  0.0000  0.5000  1
  O  O4  6  0.1593  0.3187  0.3434  1
  O  O5  3  0.0000  0.5000  0.0000  1
]