data_[K3Mn2N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1985]
_cell_length_b [6.2957]
_cell_length_c [21.3656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0771]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K3Mn2N3]
_chemical_formula_sum '[K3 Mn2 N3]'
_cell_volume [564.7458]
_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  1  0.3957  0.2555  0.4988  1
  K  K1  1  0.3976  0.0505  0.6376  1
  K  K2  1  0.8790  0.2855  0.3397  1
  Mn  Mn3  1  0.8968  0.6952  0.5706  1
  Mn  Mn4  1  0.8970  0.8410  0.4635  1
  N  N5  1  0.8960  0.5204  0.4420  1
  N  N6  1  0.8966  0.5423  0.5006  1
  N  N7  1  0.8969  0.9675  0.5471  1
]