data_[La2Sm2Zr2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8180]
_cell_length_b [3.4746]
_cell_length_c [9.8664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaSmZrN3]
_chemical_formula_sum '[La2 Sm2 Zr2 N6]'
_cell_volume [233.6901]
_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
[
  La  La0  2  0.1625  0.7500  0.2193  1
  Sm  Sm1  2  0.3579  0.2500  0.8785  1
  Zr  Zr2  2  0.1670  0.7500  0.5700  1
  N  N3  2  0.1484  0.7500  0.7825  1
  N  N4  2  0.1547  0.2500  0.4442  1
  N  N5  2  0.3646  0.2500  0.1143  1
]