data_[Ho2Be3Si4Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9133]
_cell_length_b [3.9133]
_cell_length_c [9.8135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ho2Be3Si4Pd]
_chemical_formula_sum '[Ho2 Be3 Si4 Pd1]'
_cell_volume [150.2849]
_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  2  0.0000  0.5000  0.7565  1
  Be  Be1  2  0.0000  0.5000  0.1309  1
  Be  Be2  1  0.0000  0.0000  0.5000  1
  Si  Si3  2  0.0000  0.5000  0.3567  1
  Si  Si4  1  0.0000  0.0000  0.0000  1
  Si  Si5  1  0.5000  0.5000  0.0000  1
  Pd  Pd6  1  0.5000  0.5000  0.5000  1
]