data_[In8Sn4As8Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.7730]
_cell_length_b [8.5134]
_cell_length_c [7.0878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In2SnAs2Se]
_chemical_formula_sum '[In8 Sn4 As8 Se4]'
_cell_volume [770.7339]
_cell_formula_units_Z [4]
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  8  0.1796  0.3517  0.1890  1.0
  Sn  Sn1  4  0.0000  0.1731  0.7070  1.0
  As  As2  8  0.1734  0.3504  0.8118  1.0
  Se  Se3  4  0.0000  0.2286  0.3183  1.0
]