data_[Sm4H2C1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2754]
_cell_length_b [3.6341]
_cell_length_c [6.2885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4H2CN]
_chemical_formula_sum '[Sm4 H2 C1 N1]'
_cell_volume [135.4100]
_cell_formula_units_Z [1]
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  0.2457  0.5000  0.2298  1
  Sm  Sm1  2  0.2602  0.0000  0.7724  1
  H  H2  1  0.0000  0.5000  0.5000  1
  H  H3  1  0.5000  0.0000  0.5000  1
  C  C4  1  0.0000  0.0000  0.0000  1
  N  N5  1  0.5000  0.5000  0.0000  1
]