data_[In1Te1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5206]
_cell_length_b [3.7093]
_cell_length_c [6.5343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [InTeS4]
_chemical_formula_sum '[In1 Te1 S4]'
_cell_volume [158.0474]
_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
[
  In  In0  1  0.5000  0.5000  0.0000  1.0
  Te  Te1  1  0.0000  0.0000  0.0000  1.0
  S  S2  2  0.1589  0.5000  0.7632  1.0
  S  S3  2  0.3288  0.0000  0.2255  1.0
]