data_[Be2Fe2Co1Si2Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8654]
_cell_length_b [3.8654]
_cell_length_c [5.5003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Be2Fe2CoSi2Ir]
_chemical_formula_sum '[Be2 Fe2 Co1 Si2 Ir1]'
_cell_volume [82.1799]
_cell_formula_units_Z [1]
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  0.5000  0.2382  1
  Fe  Fe1  1  0.0000  0.0000  0.5000  1
  Fe  Fe2  1  0.5000  0.5000  0.0000  1
  Co  Co3  1  0.0000  0.0000  0.0000  1
  Si  Si4  2  0.0000  0.5000  0.7653  1
  Ir  Ir5  1  0.5000  0.5000  0.5000  1
]