data_[Sm2Zr2Ti2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8291]
_cell_length_b [3.4670]
_cell_length_c [8.6592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmZrTiN3]
_chemical_formula_sum '[Sm2 Zr2 Ti2 N6]'
_cell_volume [196.5035]
_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  0.1886  0.7500  0.1456  1
  Zr  Zr1  2  0.3403  0.2500  0.8646  1
  Ti  Ti2  2  0.0664  0.7500  0.6215  1
  N  N3  2  0.0926  0.7500  0.8587  1
  N  N4  2  0.1717  0.2500  0.5841  1
  N  N5  2  0.4353  0.2500  0.1353  1
]