data_[Sm3Sc3Be51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.6713]
_cell_length_b [7.6713]
_cell_length_c [11.1736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmScBe17]
_chemical_formula_sum '[Sm3 Sc3 Be51]'
_cell_volume [569.4629]
_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  3  0.0000  0.0000  0.6600  1
  Sc  Sc1  3  0.0000  0.0000  0.3370  1
  Be  Be2  18  0.0026  0.2827  0.0002  1
  Be  Be3  9  0.0057  0.5029  0.8397  1
  Be  Be4  9  0.1670  0.3340  0.4919  1
  Be  Be5  9  0.1676  0.3352  0.8343  1
  Be  Be6  3  0.0000  0.0000  0.0979  1
  Be  Be7  3  0.0000  0.0000  0.9066  1
]