data_[Sm4Ni20P12]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5934]
_cell_length_b [11.6300]
_cell_length_c [11.4113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmNi5P3]
_chemical_formula_sum '[Sm4 Ni20 P12]'
_cell_volume [476.8885]
_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  0.3391  0.7500  1
  Ni  Ni1  8  0.0000  0.0508  0.6452  1
  Ni  Ni2  8  0.0000  0.3002  0.0710  1
  Ni  Ni3  4  0.0000  0.5000  0.0000  1
  P  P4  8  0.0000  0.1178  0.0419  1
  P  P5  4  0.0000  0.3832  0.2500  1
]