data_[Zn1Cd1Ga4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-4]
_cell_length_a [5.4870]
_cell_length_b [5.4870]
_cell_length_c [10.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [81]
_chemical_formula_structural [ZnCd(GaS2)4]
_chemical_formula_sum '[Zn1 Cd1 Ga4 S8]'
_cell_volume [315.0630]
_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  0.5000  0.5000  0.5000  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  2  0.0000  0.5000  0.2544  1.0
  Ga  Ga3  1  0.0000  0.0000  0.5000  1.0
  Ga  Ga4  1  0.5000  0.5000  0.0000  1.0
  S  S5  4  0.2424  0.2454  0.6276  1.0
  S  S6  4  0.2654  0.7289  0.8614  1.0
]