data_[Y4Ga4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1683]
_cell_length_b [4.1401]
_cell_length_c [13.2911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YGaI]
_chemical_formula_sum '[Y4 Ga4 I4]'
_cell_volume [388.9914]
_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
[
  Y  Y0  4  0.1098  0.0000  0.3140  1
  Ga  Ga1  4  0.1797  0.0000  0.5426  1
  I  I2  4  0.1046  0.5000  0.8408  1
]