data_[Sm1Ho1Br2N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6893]
_cell_length_b [3.6893]
_cell_length_c [10.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmHoBr2N]
_chemical_formula_sum '[Sm1 Ho1 Br2 N1]'
_cell_volume [124.4157]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.6250  1
  Ho  Ho1  1  0.0000  0.0000  0.3763  1
  Br  Br2  1  0.0000  0.0000  0.8158  1
  Br  Br3  1  0.3333  0.6667  0.1936  1
  N  N4  1  0.6667  0.3333  0.4893  1
]