data_[In4Si4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.8712]
_cell_length_b [13.4981]
_cell_length_c [4.0733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [InSiAs]
_chemical_formula_sum '[In4 Si4 As4]'
_cell_volume [310.3899]
_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
[
  In  In0  4  0.4929  0.1540  0.9020  1
  Si  Si1  4  0.3790  0.4525  0.6350  1
  As  As2  4  0.1899  0.1678  0.2876  1
]