data_[Zn1In1Ga1Te1S3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7219]
_cell_length_b [5.7303]
_cell_length_c [6.6222]
_cell_angle_alpha [112.9603]
_cell_angle_beta [112.8557]
_cell_angle_gamma [92.4670]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnInGaTeS3]
_chemical_formula_sum '[Zn1 In1 Ga1 Te1 S3]'
_cell_volume [179.3226]
_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
[
  Zn  Zn0  1  0.5038  0.4828  0.9877  1
  In  In1  1  0.9889  0.0056  0.9949  1
  Ga  Ga2  1  0.7673  0.2698  0.5107  1
  Te  Te3  1  0.3832  0.8594  0.2958  1
  S  S4  1  0.1198  0.1417  0.7295  1
  S  S5  1  0.6211  0.6031  0.7303  1
  S  S6  1  0.8659  0.3876  0.2512  1
]