data_[Sm4Cr2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6053]
_cell_length_b [5.4716]
_cell_length_c [6.8657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm2CrN4]
_chemical_formula_sum '[Sm4 Cr2 N8]'
_cell_volume [199.9859]
_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  0.2240  0.7500  0.4369  1.0
  Sm  Sm1  2  0.2938  0.7500  0.9641  1.0
  Cr  Cr2  2  0.2630  0.2500  0.2027  1.0
  N  N3  4  0.4697  0.0040  0.2621  1.0
  N  N4  2  0.0590  0.2500  0.3503  1.0
  N  N5  2  0.0984  0.2500  0.9439  1.0
]