data_[Ce4Mn2Re2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  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 [5.4366]
_cell_length_b [5.5242]
_cell_length_c [9.4450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce2MnReN6]
_chemical_formula_sum '[Ce4 Mn2 Re2 N12]'
_cell_volume [231.6662]
_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
[
  Ce  Ce0  4  0.2547  0.5484  0.7513  1.0
  Mn  Mn1  2  0.5000  0.0000  0.0000  1.0
  Re  Re2  2  0.0000  0.0000  0.5000  1.0
  N  N3  4  0.1787  0.5167  0.2521  1.0
  N  N4  4  0.2387  0.1985  0.0388  1.0
  N  N5  4  0.3409  0.7009  0.0375  1.0
]