data_[Sm2Er2Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7985]
_cell_length_b [3.3172]
_cell_length_c [8.4447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmErMoN3]
_chemical_formula_sum '[Sm2 Er2 Mo2 N6]'
_cell_volume [158.1136]
_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  0.3606  0.2500  0.3110  1.0
  Er  Er1  2  0.2336  0.7500  0.9468  1.0
  Mo  Mo2  2  0.1070  0.2500  0.6192  1.0
  N  N3  2  0.0462  0.7500  0.1746  1.0
  N  N4  2  0.2533  0.7500  0.5126  1.0
  N  N5  2  0.4307  0.2500  0.8264  1.0
]