data_[Ga4Cu10Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.2608]
_cell_length_b [10.5348]
_cell_length_c [3.7290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ga2Cu5Ir]
_chemical_formula_sum '[Ga4 Cu10 Ir2]'
_cell_volume [206.6631]
_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
[
  Ga  Ga0  4  0.2374  0.6210  0.5000  1.0
  Cu  Cu1  4  0.0118  0.2442  0.0000  1.0
  Cu  Cu2  4  0.2388  0.8675  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.0000  1.0
]