data_[Ce2Sm2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  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 [6.8675]
_cell_length_b [3.3752]
_cell_length_c [7.2404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSmBeN3]
_chemical_formula_sum '[Ce2 Sm2 Be2 N6]'
_cell_volume [166.2927]
_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  0.1927  0.2500  0.6496  1.0
  Sm  Sm1  2  0.2064  0.2500  0.1612  1.0
  Be  Be2  2  0.4036  0.7500  0.9253  1.0
  N  N3  2  0.1483  0.7500  0.4082  1.0
  N  N4  2  0.1535  0.7500  0.8795  1.0
  N  N5  2  0.4976  0.2500  0.8473  1.0
]