data_[Sm6Be9Cu3Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9863]
_cell_length_b [7.9863]
_cell_length_c [17.7246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2Be3CuPt12]
_chemical_formula_sum '[Sm6 Be9 Cu3 Pt36]'
_cell_volume [979.0291]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3894  1
  Be  Be1  9  0.0000  0.5000  0.5000  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  Pt  Pt3  18  0.0072  0.5036  0.3738  1
  Pt  Pt4  18  0.0308  0.5154  0.8674  1
]