data_[Y2Be2Cu22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.7585]
_cell_length_b [11.8328]
_cell_length_c [6.4086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YBeCu11]
_chemical_formula_sum '[Y2 Be2 Cu22]'
_cell_volume [338.3532]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Be  Be1  2  0.0000  0.5000  0.5000  1
  Cu  Cu2  8  0.1027  0.3908  0.2300  1
  Cu  Cu3  8  0.1755  0.1758  0.3563  1
  Cu  Cu4  4  0.2500  0.2500  0.0000  1
  Cu  Cu5  2  0.0000  0.0000  0.5000  1
]