data_[Zn1In1Ga1Te3S1]
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 [6.0679]
_cell_length_b [6.0719]
_cell_length_c [7.2053]
_cell_angle_alpha [113.0702]
_cell_angle_beta [114.8427]
_cell_angle_gamma [91.9323]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnInGaTe3S]
_chemical_formula_sum '[Zn1 In1 Ga1 Te3 S1]'
_cell_volume [215.2918]
_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  0.5262  0.5201  0.0126  1
  In  In1  1  0.9906  0.9875  0.0068  1
  Ga  Ga2  1  0.2249  0.7583  0.4864  1
  Te  Te3  1  0.1052  0.5826  0.7256  1
  Te  Te4  1  0.4079  0.3974  0.2856  1
  Te  Te5  1  0.6168  0.1418  0.7221  1
  S  S6  1  0.8784  0.8624  0.2609  1
]