data_[Ga4Ir8C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8710]
_cell_length_b [7.5376]
_cell_length_c [10.2303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [GaIr2C]
_chemical_formula_sum '[Ga4 Ir8 C4]'
_cell_volume [221.3907]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.7218  1
  Ga  Ga1  2  0.0000  0.5000  0.5780  1
  Ir  Ir2  4  0.0000  0.2770  0.3636  1
  Ir  Ir3  4  0.0000  0.2779  0.0901  1
  C  C4  4  0.0000  0.4065  0.9043  1
]