data_[Re7N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.6934]
_cell_length_b [6.6934]
_cell_length_c [22.1153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Re7N10]
_chemical_formula_sum '[Re7 N10]'
_cell_volume [858.0665]
_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
[
  Re  Re0  6  0.2040  0.7960  0.6628  1
  Re  Re1  1  0.0000  0.0000  0.5950  1
  N  N2  6  0.1071  0.3747  0.3977  1
  N  N3  3  0.0000  0.3851  0.3411  1
  N  N4  1  0.0000  0.0000  0.5188  1
]