data_[In2Sn2As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0184]
_cell_length_b [7.6139]
_cell_length_c [18.4444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [In2Sn2As3]
_chemical_formula_sum '[In2 Sn2 As3]'
_cell_volume [564.3179]
_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  0.5000  0.0000  0.4499  1
  In  In1  1  0.5000  0.5000  0.4529  1
  Sn  Sn2  2  0.0000  0.2411  0.5735  1
  As  As3  2  0.0000  0.2540  0.4212  1
  As  As4  1  0.5000  0.5000  0.6079  1
]