data_[Sm4Be8Pt12]
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 [Cmcm]
_cell_length_a [9.3814]
_cell_length_b [7.8542]
_cell_length_c [5.2449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmBe2Pt3]
_chemical_formula_sum '[Sm4 Be8 Pt12]'
_cell_volume [386.4661]
_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  4  0.0000  0.3293  0.2500  1.0
  Be  Be1  8  0.2096  0.0000  0.0000  1.0
  Pt  Pt2  8  0.1911  0.2992  0.7500  1.0
  Pt  Pt3  4  0.0000  0.0404  0.7500  1.0
]