data_[In6Ag2As4]
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 [Pc]
_cell_length_a [5.9081]
_cell_length_b [18.7751]
_cell_length_c [8.2113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [In3AgAs2]
_chemical_formula_sum '[In6 Ag2 As4]'
_cell_volume [906.7460]
_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  2  0.1195  0.1005  0.9634  1
  In  In1  2  0.4713  0.0906  0.3462  1
  In  In2  2  0.9749  0.0930  0.3301  1
  Ag  Ag3  2  0.5997  0.0609  0.0140  1
  As  As4  2  0.5767  0.0610  0.6894  1
  As  As5  2  0.9843  0.0407  0.6569  1
]