data_[Ga2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6702]
_cell_length_b [2.8272]
_cell_length_c [6.6436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [GaIr2]
_chemical_formula_sum '[Ga2 Ir4]'
_cell_volume [86.7093]
_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  2  0.2735  0.0000  0.6775  1.0
  Ir  Ir1  2  0.2339  0.5000  0.3450  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  1  0.5000  0.5000  0.0000  1.0
]