data_[Sm4Co4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7528]
_cell_length_b [3.8420]
_cell_length_c [7.4261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmCoN3]
_chemical_formula_sum '[Sm4 Co4 N12]'
_cell_volume [296.3860]
_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  0.1670  0.0000  0.8081  1.0
  Co  Co1  4  0.0437  0.5000  0.1583  1.0
  N  N2  4  0.1096  0.5000  0.3893  1.0
  N  N3  4  0.1332  0.5000  0.9743  1.0
  N  N4  4  0.1485  0.5000  0.5537  1.0
]