data_[Sm2Pu2Mn2]
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
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2873]
_cell_length_b [3.4573]
_cell_length_c [11.6409]
_cell_angle_alpha [92.8482]
_cell_angle_beta [94.5370]
_cell_angle_gamma [104.4487]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmPuMn]
_chemical_formula_sum '[Sm2 Pu2 Mn2]'
_cell_volume [127.3843]
_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  0.2783  0.8162  0.1412  1
  Pu  Pu1  2  0.1608  0.7910  0.4456  1
  Mn  Mn2  2  0.2313  0.6304  0.6909  1
]