data_[Sm4Ni4B4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2696]
_cell_length_b [7.7992]
_cell_length_c [7.6894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [SmNiBO4]
_chemical_formula_sum '[Sm4 Ni4 B4 O16]'
_cell_volume [316.0244]
_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  0.0000  0.0000  1
  Ni  Ni1  4  0.2500  0.2500  0.7500  1
  B  B2  4  0.0000  0.2500  0.3957  1
  O  O3  8  0.0000  0.0897  0.2966  1
  O  O4  8  0.2344  0.2500  0.5159  1
]