data_[In4Ag6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7811]
_cell_length_b [6.2706]
_cell_length_c [18.3657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2(AgAs)3]
_chemical_formula_sum '[In4 Ag6 As6]'
_cell_volume [1126.4330]
_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  4  0.4763  0.2532  0.4335  1
  Ag  Ag1  4  0.1785  0.2508  0.5530  1
  Ag  Ag2  2  0.2244  0.5000  0.4113  1
  As  As3  4  0.4263  0.3114  0.5946  1
  As  As4  2  0.2368  0.0000  0.4265  1
]