data_[Sm2Ni4P2N8]
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
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.1740]
_cell_length_b [5.1740]
_cell_length_c [6.3530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [SmNi2PN4]
_chemical_formula_sum '[Sm2 Ni4 P2 N8]'
_cell_volume [170.0732]
_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  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  4  0.0000  0.5000  0.2500  1.0
  P  P2  2  0.0000  0.0000  0.5000  1.0
  N  N3  8  0.1854  0.1854  0.6551  1.0
]