data_[Sm4Ta2W2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ta  1.5000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5934]
_cell_length_b [5.7190]
_cell_length_c [9.7220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2TaWN6]
_chemical_formula_sum '[Sm4 Ta2 W2 N12]'
_cell_volume [254.8322]
_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  4  0.2406  0.0493  0.2501  1.0
  Ta  Ta1  2  0.5000  0.0000  0.0000  1.0
  W  W2  2  0.0000  0.0000  0.5000  1.0
  N  N3  4  0.1606  0.2123  0.9552  1.0
  N  N4  4  0.2438  0.7060  0.9562  1.0
  N  N5  4  0.3300  0.0198  0.7464  1.0
]