data_[Sm2Ti2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  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 [6.6204]
_cell_length_b [3.1257]
_cell_length_c [6.7882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmTiBeN3]
_chemical_formula_sum '[Sm2 Ti2 Be2 N6]'
_cell_volume [135.3068]
_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
[
  Sm  Sm0  2  0.2001  0.2500  0.2328  1.0
  Ti  Ti1  2  0.3334  0.7500  0.8467  1.0
  Be  Be2  2  0.0894  0.2500  0.5998  1.0
  N  N3  2  0.1261  0.2500  0.8581  1.0
  N  N4  2  0.1796  0.7500  0.5255  1.0
  N  N5  2  0.4482  0.7500  0.1586  1.0
]