data_[Sm8Cr4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2654]
_cell_length_b [13.8945]
_cell_length_c [9.9264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2CrMoN5]
_chemical_formula_sum '[Sm8 Cr4 Mo4 N20]'
_cell_volume [450.3703]
_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  0.0000  0.1203  0.6876  1.0
  Sm  Sm1  4  0.0000  0.1340  0.3126  1.0
  Cr  Cr2  4  0.0000  0.4473  0.4491  1.0
  Mo  Mo3  4  0.0000  0.2062  0.0167  1.0
  N  N4  4  0.0000  0.0418  0.0324  1.0
  N  N5  4  0.0000  0.2969  0.6556  1.0
  N  N6  4  0.0000  0.3191  0.3735  1.0
  N  N7  4  0.0000  0.3429  0.0054  1.0
  N  N8  4  0.0000  0.4994  0.2911  1.0
]