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 [Pm]
_cell_length_a [4.7191]
_cell_length_b [2.8110]
_cell_length_c [6.7395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [GaIr2]
_chemical_formula_sum '[Ga2 Ir4]'
_cell_volume [87.9606]
_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  1  0.6675  0.0000  0.7591  1.0
  Ga  Ga1  1  0.9795  0.5000  0.1221  1.0
  Ir  Ir2  1  0.1620  0.5000  0.7864  1.0
  Ir  Ir3  1  0.2142  0.0000  0.4357  1.0
  Ir  Ir4  1  0.4867  0.0000  0.0950  1.0
  Ir  Ir5  1  0.7203  0.5000  0.4434  1.0
]