data_[Sm2Mo2N6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7098]
_cell_length_b [3.7628]
_cell_length_c [8.0620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmMoN3]
_chemical_formula_sum '[Sm2 Mo2 N6]'
_cell_volume [163.2930]
_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  0.2755  0.7500  0.3129  1.0
  Mo  Mo1  2  0.3429  0.7500  0.8272  1.0
  N  N2  2  0.0117  0.7500  0.7686  1.0
  N  N3  2  0.4312  0.7500  0.6242  1.0
  N  N4  2  0.4861  0.2500  0.8911  1.0
]