data_[Cu8Sn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cccm]
_cell_length_a [6.4370]
_cell_length_b [7.7961]
_cell_length_c [11.0883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Cu2SnS4]
_chemical_formula_sum '[Cu8 Sn4 S16]'
_cell_volume [556.4517]
_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
[
  Cu  Cu0  8  0.0745  0.1514  0.0000  1
  Sn  Sn1  4  0.0000  0.5000  0.2500  1
  S  S2  8  0.2130  0.3835  0.5000  1
  S  S3  8  0.2500  0.2500  0.1671  1
]