data_[Sm4Mo4N4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.1527]
_cell_length_b [7.6754]
_cell_length_c [5.0423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [SmMoNO]
_chemical_formula_sum '[Sm4 Mo4 N4 O4]'
_cell_volume [238.1199]
_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
[
  Sm  Sm0  4  0.0627  0.1494  0.0177  1
  Mo  Mo1  4  0.1445  0.6546  0.0197  1
  N  N2  4  0.0505  0.1504  0.5221  1
  O  O3  4  0.0236  0.5675  0.6428  1
]