data_[Sm16Ga4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0319]
_cell_length_b [18.0001]
_cell_length_c [6.7333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm4GaN]
_chemical_formula_sum '[Sm16 Ga4 N4]'
_cell_volume [609.8614]
_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  0.0925  0.2251  1
  Sm  Sm1  4  0.0000  0.2956  0.9388  1
  Sm  Sm2  4  0.0000  0.3322  0.4304  1
  Sm  Sm3  4  0.0000  0.4792  0.0342  1
  Ga  Ga4  4  0.0000  0.1069  0.7125  1
  N  N5  4  0.0000  0.4045  0.7258  1
]