data_[Sm16As2P10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.7488]
_cell_length_b [8.7488]
_cell_length_c [8.7054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Sm8AsP5]
_chemical_formula_sum '[Sm16 As2 P10]'
_cell_volume [666.3182]
_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  8  0.0651  0.3138  0.5613  1
  Sm  Sm1  8  0.0652  0.1792  0.1886  1
  As  As2  2  0.0000  0.5000  0.2500  1
  P  P3  8  0.1271  0.2508  0.8755  1
  P  P4  2  0.0000  0.0000  0.5000  1
]