data_[Ce2Sc2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7458]
_cell_length_b [3.2193]
_cell_length_c [6.8625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeScBeN3]
_chemical_formula_sum '[Ce2 Sc2 Be2 N6]'
_cell_volume [145.6847]
_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  2  0.2174  0.2500  0.1871  1.0
  Sc  Sc1  2  0.1710  0.2500  0.6582  1.0
  Be  Be2  2  0.3996  0.7500  0.9173  1.0
  N  N3  2  0.1405  0.7500  0.8806  1.0
  N  N4  2  0.1661  0.7500  0.4206  1.0
  N  N5  2  0.4864  0.2500  0.8337  1.0
]