data_[Be1Cr1Ir1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8462]
_cell_length_b [2.8462]
_cell_length_c [5.8962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [BeCrIrRu]
_chemical_formula_sum '[Be1 Cr1 Ir1 Ru1]'
_cell_volume [47.7643]
_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  1  0.5000  0.5000  0.6066  1.0
  Cr  Cr1  1  0.5000  0.5000  0.1154  1.0
  Ru  Ru2  1  0.0000  0.0000  0.3683  1.0
  Ir  Ir3  1  0.0000  0.0000  0.8376  1.0
]