data_[Sm4Ho8Ti4N16]
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
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3917]
_cell_length_b [11.6998]
_cell_length_c [11.8488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmHo2TiN4]
_chemical_formula_sum '[Sm4 Ho8 Ti4 N16]'
_cell_volume [470.1803]
_cell_formula_units_Z [4]
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  4  0.0000  0.0998  0.7500  1
  Ho  Ho1  8  0.0000  0.3703  0.5388  1
  Ti  Ti2  4  0.0000  0.1636  0.2500  1
  N  N3  8  0.0000  0.2629  0.1243  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4352  0.7500  1
]