data_[Te3S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6641]
_cell_length_b [5.8155]
_cell_length_c [6.6691]
_cell_angle_alpha [74.7770]
_cell_angle_beta [68.6548]
_cell_angle_gamma [70.4632]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te3S2]
_chemical_formula_sum '[Te3 S2]'
_cell_volume [190.3321]
_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
[
  Te  Te0  2  0.3892  0.5123  0.7309  1.0
  Te  Te1  1  0.5000  0.0000  0.0000  1.0
  S  S2  2  0.2615  0.3473  0.2576  1.0
]