data_[K3Pa1Mn2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [6.3139]
_cell_length_b [6.3139]
_cell_length_c [7.1234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3PaMn2O6]
_chemical_formula_sum '[K3 Pa1 Mn2 O6]'
_cell_volume [245.9314]
_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
[
  K  K0  2  0.3333  0.6667  0.6934  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Pa  Pa2  1  0.0000  0.0000  0.5000  1
  Mn  Mn3  2  0.3333  0.6667  0.2564  1
  O  O4  6  0.1582  0.3163  0.3100  1
]