data_[La8Re2N14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9947]
_cell_length_b [4.0251]
_cell_length_c [10.1082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.1728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4ReN7]
_chemical_formula_sum '[La8 Re2 N14]'
_cell_volume [415.2592]
_cell_formula_units_Z [2]
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
[
  La  La0  4  0.0712  0.5000  0.3192  1
  La  La1  4  0.2440  0.0000  0.8451  1
  Re  Re2  2  0.0000  0.0000  0.0000  1
  N  N3  4  0.0233  0.0000  0.4676  1
  N  N4  4  0.1452  0.0000  0.2601  1
  N  N5  4  0.1464  0.5000  0.8439  1
  N  N6  2  0.0000  0.5000  0.0000  1
]