data_[In6Sn6As6]
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 [Cm]
_cell_length_a [4.7943]
_cell_length_b [12.9751]
_cell_length_c [20.6154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InSnAs]
_chemical_formula_sum '[In6 Sn6 As6]'
_cell_volume [1282.4070]
_cell_formula_units_Z [6]
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  0.2423  0.1835  0.3648  1
  In  In1  2  0.3363  0.5000  0.4954  1
  Sn  Sn2  4  0.3846  0.1781  0.6155  1
  Sn  Sn3  2  0.2824  0.5000  0.6372  1
  As  As4  4  0.4048  0.2833  0.4923  1
  As  As5  2  0.3333  0.0000  0.4222  1
]