data_[Sm1Pu2Hf1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7740]
_cell_length_b [3.9448]
_cell_length_c [6.8656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmPu2HfP4]
_chemical_formula_sum '[Sm1 Pu2 Hf1 P4]'
_cell_volume [172.9999]
_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  0.5000  0.5000  1
  Pu  Pu1  1  0.5000  0.0000  0.5000  1
  Pu  Pu2  1  0.5000  0.5000  0.0000  1
  Hf  Hf3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.2411  0.5000  0.2332  1
  P  P5  2  0.2509  0.0000  0.7654  1
]