data_[Ho2Be5Cu5]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8663]
_cell_length_b [4.7468]
_cell_length_c [8.6055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ho2(BeCu)5]
_chemical_formula_sum '[Ho2 Be5 Cu5]'
_cell_volume [157.9320]
_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  0.5000  1
  Ho  Ho1  1  0.0000  0.5000  0.0000  1
  Be  Be2  4  0.5000  0.2521  0.2551  1
  Be  Be3  1  0.5000  0.5000  0.5000  1
  Cu  Cu4  2  0.0000  0.0000  0.1829  1
  Cu  Cu5  2  0.0000  0.5000  0.3321  1
  Cu  Cu6  1  0.5000  0.0000  0.0000  1
]