data_[Sm4U8P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  U  1.3800  1.7500  0.9913
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9774]
_cell_length_b [13.1385]
_cell_length_c [12.4412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm(UP2)2]
_chemical_formula_sum '[Sm4 U8 P16]'
_cell_volume [650.1425]
_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  0.3876  0.2500  1
  U  U1  8  0.0000  0.1320  0.0628  1
  P  P2  8  0.0000  0.2379  0.6240  1
  P  P3  4  0.0000  0.0411  0.2500  1
  P  P4  4  0.0000  0.5000  0.0000  1
]