data_[In3Ga15As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1106]
_cell_length_b [4.1106]
_cell_length_c [52.0886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [InGa5As4]
_chemical_formula_sum '[In3 Ga15 As12]'
_cell_volume [762.2204]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6459  1.0
  Ga  Ga1  3  0.0000  0.0000  0.0080  1.0
  Ga  Ga2  3  0.0000  0.0000  0.1972  1.0
  Ga  Ga3  3  0.0000  0.0000  0.4042  1.0
  Ga  Ga4  3  0.0000  0.0000  0.5939  1.0
  Ga  Ga5  3  0.0000  0.0000  0.8007  1.0
  As  As6  3  0.0000  0.0000  0.0548  1.0
  As  As7  3  0.0000  0.0000  0.2448  1.0
  As  As8  3  0.0000  0.0000  0.4518  1.0
  As  As9  3  0.0000  0.0000  0.8485  1.0
]