data_[Y2Be2B2]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6107]
_cell_length_b [5.0281]
_cell_length_c [5.1753]
_cell_angle_alpha [73.2292]
_cell_angle_beta [75.7515]
_cell_angle_gamma [87.1989]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YBeB]
_chemical_formula_sum '[Y2 Be2 B2]'
_cell_volume [87.1694]
_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  0.3552  0.6922  0.7132  1.0
  Be  Be1  2  0.0724  0.8432  0.2027  1.0
  B  B2  2  0.3890  0.1462  0.9148  1.0
]