data_[In4Ag3As4]
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 [P1]
_cell_length_a [5.1271]
_cell_length_b [8.2077]
_cell_length_c [19.5495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [100.1987]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In4Ag3As4]
_chemical_formula_sum '[In4 Ag3 As4]'
_cell_volume [809.6685]
_cell_formula_units_Z [1]
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  0.2268  0.0455  0.3935  1
  In  In1  1  0.2380  0.7888  0.5845  1
  In  In2  1  0.3547  0.6298  0.4284  1
  In  In3  1  0.3621  0.3311  0.5500  1
  Ag  Ag4  1  0.7566  0.8383  0.5170  1
  Ag  Ag5  1  0.8287  0.1719  0.4928  1
  Ag  Ag6  1  0.9083  0.5248  0.5070  1
  As  As7  1  0.0507  0.0710  0.6078  1
  As  As8  1  0.5588  0.3436  0.4145  1
  As  As9  1  0.6078  0.6089  0.6186  1
  As  As10  1  0.6764  0.9100  0.3859  1
]