data_[Ce8Mg4V4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3822]
_cell_length_b [13.5643]
_cell_length_c [9.9282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2MgVN5]
_chemical_formula_sum '[Ce8 Mg4 V4 N20]'
_cell_volume [455.4786]
_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
[
  Ce  Ce0  4  0.0000  0.1158  0.6723  1.0
  Ce  Ce1  4  0.0000  0.1422  0.3075  1.0
  Mg  Mg2  4  0.0000  0.2078  0.0166  1.0
  V  V3  4  0.0000  0.4511  0.4443  1.0
  N  N4  4  0.0000  0.0425  0.0284  1.0
  N  N5  4  0.0000  0.2877  0.6807  1.0
  N  N6  4  0.0000  0.3259  0.3794  1.0
  N  N7  4  0.0000  0.3628  0.0117  1.0
  N  N8  4  0.0000  0.4909  0.7830  1.0
]