data_[Be2Co2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8579]
_cell_length_b [2.6948]
_cell_length_c [4.3003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeCoIr2]
_chemical_formula_sum '[Be2 Co2 Ir4]'
_cell_volume [95.8767]
_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  0.0097  0.5000  0.4574  1
  Co  Co1  2  0.2342  0.0000  0.7874  1
  Ir  Ir2  2  0.2629  0.5000  0.3143  1
  Ir  Ir3  2  0.4932  0.5000  0.9409  1
]