data_[Be2Nb4B4Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Nb  1.6000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4571]
_cell_length_b [9.4571]
_cell_length_c [2.8473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [BeNb2B2Ir5]
_chemical_formula_sum '[Be2 Nb4 B4 Ir10]'
_cell_volume [254.6479]
_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
[
  Be  Be0  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb1  4  0.1845  0.6845  0.0000  1.0
  B  B2  4  0.1299  0.3701  0.0000  1.0
  Ir  Ir3  8  0.0548  0.2057  0.5000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.5000  1.0
]