data_[Sm4Be4Pt12]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9099]
_cell_length_b [5.9099]
_cell_length_c [11.3412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [SmBePt3]
_chemical_formula_sum '[Sm4 Be4 Pt12]'
_cell_volume [343.0457]
_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  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  2  0.3333  0.6667  0.7500  1.0
  Be  Be2  4  0.3333  0.6667  0.3671  1.0
  Pt  Pt3  6  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  6  0.1544  0.8456  0.2500  1.0
]