data_[K1Sm2Re2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2619]
_cell_length_b [6.6981]
_cell_length_c [6.8789]
_cell_angle_alpha [96.9143]
_cell_angle_beta [114.4531]
_cell_angle_gamma [115.4311]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSm2(ReN3)2]
_chemical_formula_sum '[K1 Sm2 Re2 N6]'
_cell_volume [221.0430]
_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  0.0000  0.5000  0.5000  1.0
  Sm  Sm1  2  0.3498  0.1677  0.7811  1.0
  Re  Re2  2  0.2301  0.1649  0.1854  1.0
  N  N3  2  0.1434  0.1643  0.4123  1.0
  N  N4  2  0.3101  0.4181  0.1013  1.0
  N  N5  2  0.4688  0.0738  0.2112  1.0
]