data_[Fe6Cu2Sn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  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 [Imm2]
_cell_length_a [7.0599]
_cell_length_b [7.1996]
_cell_length_c [10.0796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Fe3Cu(SnS4)2]
_chemical_formula_sum '[Fe6 Cu2 Sn4 S16]'
_cell_volume [512.3355]
_cell_formula_units_Z [2]
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
[
  Fe  Fe0  4  0.2475  0.0000  0.3756  1
  Fe  Fe1  2  0.0000  0.0000  0.9946  1
  Cu  Cu2  2  0.0000  0.5000  0.2592  1
  Sn  Sn3  4  0.0000  0.2462  0.6237  1
  S  S4  4  0.0000  0.2142  0.3721  1
  S  S5  4  0.0000  0.2834  0.8778  1
  S  S6  4  0.2387  0.0000  0.1465  1
  S  S7  4  0.2410  0.5000  0.1024  1
]