data_[In5Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.9627]
_cell_length_b [15.0000]
_cell_length_c [11.6183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In5Ga6]
_chemical_formula_sum '[In5 Ga6]'
_cell_volume [1361.2312]
_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
[
  In  In0  1  0.0520  0.5000  0.6159  1
  In  In1  1  0.0636  0.5000  0.2819  1
  In  In2  1  0.3258  0.5000  0.1012  1
  In  In3  1  0.6083  0.5000  0.9749  1
  In  In4  1  0.6773  0.5000  0.5512  1
  Ga  Ga5  1  0.1815  0.5000  0.8581  1
  Ga  Ga6  1  0.3122  0.5000  0.4991  1
  Ga  Ga7  1  0.4578  0.5000  0.7300  1
  Ga  Ga8  1  0.4785  0.5000  0.3298  1
  Ga  Ga9  1  0.8254  0.5000  0.7969  1
  Ga  Ga10  1  0.9699  0.5000  0.0229  1
]