data_[In4Cu4Sn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4952]
_cell_length_b [7.4966]
_cell_length_c [10.5610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [InCuSnS4]
_chemical_formula_sum '[In4 Cu4 Sn4 S16]'
_cell_volume [593.4044]
_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  4  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  4  0.0000  0.2500  0.1216  1.0
  Sn  Sn2  4  0.2500  0.2500  0.7500  1.0
  S  S3  8  0.0000  0.0046  0.7516  1.0
  S  S4  8  0.2461  0.2500  0.5060  1.0
]