data_[Sr6Nd3Re6N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1974]
_cell_length_b [6.1974]
_cell_length_c [18.1308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Nd(ReN3)2]
_chemical_formula_sum '[Sr6 Nd3 Re6 N18]'
_cell_volume [603.0620]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  6  0.0000  0.0000  0.2054  1
  Nd  Nd1  3  0.0000  0.0000  0.0000  1
  Re  Re2  6  0.0000  0.0000  0.4191  1
  N  N3  18  0.0016  0.5008  0.7582  1
]