data_[In4Ga2Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0760]
_cell_length_b [8.2482]
_cell_length_c [9.9926]
_cell_angle_alpha [102.1921]
_cell_angle_beta [101.7539]
_cell_angle_gamma [90.0200]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In2GaBr2]
_chemical_formula_sum '[In4 Ga2 Br4]'
_cell_volume [321.1552]
_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
[
  In  In0  1  0.4030  0.0233  0.0253  1.0
  In  In1  1  0.6523  0.1712  0.5435  1.0
  In  In2  1  0.6585  0.6727  0.5489  1.0
  In  In3  1  0.9247  0.3281  0.0675  1.0
  Ga  Ga4  1  0.4021  0.5707  0.0226  1.0
  Ga  Ga5  1  0.9255  0.7806  0.0700  1.0
  Br  Br6  1  0.0566  0.8673  0.3383  1.0
  Br  Br7  1  0.0665  0.3768  0.3618  1.0
  Br  Br8  1  0.2501  0.9718  0.7309  1.0
  Br  Br9  1  0.2662  0.4815  0.7546  1.0
]