data_[In6Ag2As6]
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 [Pnc2]
_cell_length_a [20.6868]
_cell_length_b [5.0957]
_cell_length_c [9.8050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [In3AgAs3]
_chemical_formula_sum '[In6 Ag2 As6]'
_cell_volume [1033.5873]
_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  0.1374  0.6155  0.7518  1
  In  In1  2  0.0000  0.0000  0.4114  1
  Ag  Ag2  2  0.0000  0.0000  0.0940  1
  As  As3  4  0.0931  0.1209  0.6073  1
  As  As4  2  0.0000  0.0000  0.7682  1
]