data_[In4Ag2As4]
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 [Pmm2]
_cell_length_a [4.1014]
_cell_length_b [8.0739]
_cell_length_c [20.6567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [In2AgAs2]
_chemical_formula_sum '[In4 Ag2 As4]'
_cell_volume [684.0356]
_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  0.0000  0.2560  0.6170  1
  In  In1  1  0.5000  0.0000  0.4885  1
  In  In2  1  0.5000  0.5000  0.4657  1
  Ag  Ag3  1  0.0000  0.5000  0.3735  1
  Ag  Ag4  1  0.5000  0.0000  0.6248  1
  As  As5  2  0.0000  0.2154  0.4332  1
  As  As6  1  0.0000  0.0000  0.3509  1
  As  As7  1  0.5000  0.5000  0.5961  1
]