data_[Fe3Te3S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1405]
_cell_length_b [21.8367]
_cell_length_c [6.9155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Fe3Te3S2]
_chemical_formula_sum '[Fe3 Te3 S2]'
_cell_volume [474.2438]
_cell_formula_units_Z [1]
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  2  0.0000  0.4354  0.6860  1
  Fe  Fe1  1  0.5000  0.5000  0.9540  1
  Te  Te2  2  0.5000  0.3435  0.6147  1
  Te  Te3  1  0.5000  0.5000  0.4588  1
  S  S4  2  0.0000  0.4279  0.0072  1
]