data_[Ho1Sc1Be2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8090]
_cell_length_b [3.8090]
_cell_length_c [7.6745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [HoSc(BeSi)2]
_chemical_formula_sum '[Ho1 Sc1 Be2 Si2]'
_cell_volume [96.4274]
_cell_formula_units_Z [1]
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
[
  Ho  Ho0  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.5000  1.0
  Be  Be2  2  0.3333  0.6667  0.2640  1.0
  Si  Si3  2  0.3333  0.6667  0.7371  1.0
]