data_[Sm6Tm2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.1367]
_cell_length_b [7.0922]
_cell_length_c [6.1353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sm3TmN4]
_chemical_formula_sum '[Sm6 Tm2 N8]'
_cell_volume [251.7755]
_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  0.0000  0.3723  0.7500  1
  Sm  Sm1  2  0.5000  0.1241  0.7500  1
  Sm  Sm2  2  0.5000  0.3720  0.2500  1
  Tm  Tm3  2  0.0000  0.1241  0.2500  1
  N  N4  4  0.2415  0.1227  0.0017  1
  N  N5  4  0.2471  0.3675  0.4946  1
]