data_[Y4Be4Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4690]
_cell_length_b [5.4746]
_cell_length_c [7.5061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YBeIr]
_chemical_formula_sum '[Y4 Be4 Ir4]'
_cell_volume [209.3403]
_cell_formula_units_Z [4]
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  4  0.1977  0.6204  0.3729  1.0
  Be  Be1  4  0.3959  0.1193  0.2891  1.0
  Ir  Ir2  4  0.2511  0.1247  0.5366  1.0
]