data_[Ga2Ni3Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4204]
_cell_length_b [2.7275]
_cell_length_c [6.3802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ga2Ni3Ir]
_chemical_formula_sum '[Ga2 Ni3 Ir1]'
_cell_volume [75.8193]
_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
[
  Ga  Ga0  2  0.2743  0.0000  0.6756  1.0
  Ni  Ni1  2  0.2445  0.5000  0.3456  1.0
  Ni  Ni2  1  0.5000  0.5000  0.0000  1.0
  Ir  Ir3  1  0.0000  0.0000  0.0000  1.0
]