data_[Y4Re4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3725]
_cell_length_b [6.5684]
_cell_length_c [6.6621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YReN3]
_chemical_formula_sum '[Y4 Re4 N12]'
_cell_volume [291.3410]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.0923  0.2497  0.5692  1.0
  Re  Re1  4  0.3370  0.6128  0.4424  1.0
  N  N2  4  0.0426  0.5403  0.2481  1.0
  N  N3  4  0.2970  0.7239  0.6644  1.0
  N  N4  4  0.3689  0.1784  0.9784  1.0
]