data_[In2Si2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3077]
_cell_length_b [3.9172]
_cell_length_c [7.1286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InSiCl]
_chemical_formula_sum '[In2 Si2 Cl2]'
_cell_volume [146.3759]
_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  0.2065  0.5000  0.8304  1
  In  In1  1  0.8602  0.5000  0.4554  1
  Si  Si2  1  0.1655  0.0000  0.2896  1
  Si  Si3  1  0.4003  0.5000  0.2190  1
  Cl  Cl4  1  0.4815  0.0000  0.6512  1
  Cl  Cl5  1  0.8822  0.0000  0.0188  1
]