data_[K6Pa4Mn2N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8711]
_cell_length_b [10.1855]
_cell_length_c [6.6902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Pa2MnN6]
_chemical_formula_sum '[K6 Pa4 Mn2 N12]'
_cell_volume [383.1518]
_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
[
  K  K0  4  0.0000  0.1583  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  4  0.0000  0.3332  0.0000  1
  Mn  Mn3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2110  0.1565  0.1655  1
  N  N5  4  0.2407  0.5000  0.1638  1
]