data_[Be12Cu2Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9363]
_cell_length_b [5.6376]
_cell_length_c [11.7587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Be6CuIr5]
_chemical_formula_sum '[Be12 Cu2 Ir10]'
_cell_volume [260.9383]
_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  8  0.0000  0.2588  0.1714  1
  Be  Be1  4  0.0000  0.2309  0.5000  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  4  0.0000  0.0000  0.3307  1
  Ir  Ir4  4  0.0000  0.5000  0.3450  1
  Ir  Ir5  2  0.0000  0.5000  0.0000  1
]