data_[Sm1Y1Ni2B2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5391]
_cell_length_b [3.5391]
_cell_length_c [7.5500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SmYNi2(BN)2]
_chemical_formula_sum '[Sm1 Y1 Ni2 B2 N2]'
_cell_volume [94.5644]
_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  0.0000  0.0000  0.8294  1
  Y  Y1  1  0.5000  0.5000  0.1676  1
  Ni  Ni2  2  0.0000  0.5000  0.4980  1
  B  B3  1  0.0000  0.0000  0.3429  1
  B  B4  1  0.5000  0.5000  0.6591  1
  N  N5  1  0.0000  0.0000  0.1505  1
  N  N6  1  0.5000  0.5000  0.8545  1
]