data_[Sc4Be4Si2Ni10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6416]
_cell_length_b [8.6416]
_cell_length_c [3.2336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc2Be2SiNi5]
_chemical_formula_sum '[Sc4 Be4 Si2 Ni10]'
_cell_volume [241.4736]
_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
[
  Sc  Sc0  4  0.1793  0.3207  0.0000  1
  Be  Be1  4  0.1162  0.6162  0.0000  1
  Si  Si2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  8  0.0645  0.7895  0.5000  1
  Ni  Ni4  2  0.0000  0.5000  0.5000  1
]