data_[Sm4Al2P2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5796]
_cell_length_b [8.5987]
_cell_length_c [8.1644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sm2AlPPt6]
_chemical_formula_sum '[Sm4 Al2 P2 Pt12]'
_cell_volume [391.7045]
_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  4  0.0000  0.2373  0.2733  1.0
  Al  Al1  2  0.0000  0.5000  0.7219  1.0
  P  P2  2  0.0000  0.0000  0.7587  1.0
  Pt  Pt3  4  0.0000  0.2459  0.8808  1.0
  Pt  Pt4  4  0.2488  0.5000  0.9839  1.0
  Pt  Pt5  4  0.2494  0.5000  0.4721  1.0
]