data_[Cs1Sm2Re2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.4333]
_cell_length_b [6.8726]
_cell_length_c [7.1224]
_cell_angle_alpha [61.3275]
_cell_angle_beta [86.3763]
_cell_angle_gamma [62.2592]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSm2(ReN3)2]
_chemical_formula_sum '[Cs1 Sm2 Re2 N6]'
_cell_volume [239.2790]
_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  1  0.5000  0.0000  0.5000  1.0
  Sm  Sm1  2  0.1553  0.4167  0.7697  1.0
  Re  Re2  2  0.1152  0.9375  0.1832  1.0
  N  N3  2  0.0193  0.7262  0.3973  1.0
  N  N4  2  0.0219  0.2428  0.1572  1.0
  N  N5  2  0.4282  0.7766  0.1879  1.0
]