data_[Zn6In2Ag2S10]
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
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5035]
_cell_length_b [6.8660]
_cell_length_c [10.5005]
_cell_angle_alpha [70.9172]
_cell_angle_beta [89.9548]
_cell_angle_gamma [89.9576]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Zn3InAgS5]
_chemical_formula_sum '[Zn6 In2 Ag2 S10]'
_cell_volume [443.1140]
_cell_formula_units_Z [2]
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  0.0010  0.6690  0.0026  1.0
  Zn  Zn1  1  0.0032  0.4651  0.4053  1.0
  Zn  Zn2  1  0.4951  0.7256  0.2072  1.0
  Zn  Zn3  1  0.4986  0.1394  0.4019  1.0
  Zn  Zn4  1  0.5074  0.5286  0.5927  1.0
  Zn  Zn5  1  0.9990  0.2720  0.7928  1.0
  In  In6  1  0.0015  0.0684  0.1987  1.0
  In  In7  1  0.5004  0.9370  0.7994  1.0
  Ag  Ag8  1  0.5022  0.3327  0.9991  1.0
  Ag  Ag9  1  0.9999  0.8598  0.6001  1.0
  S  S10  1  0.3624  0.2820  0.7844  1.0
  S  S11  1  0.3640  0.6786  0.0101  1.0
  S  S12  1  0.3691  0.4638  0.3988  1.0
  S  S13  1  0.3850  0.0500  0.2142  1.0
  S  S14  1  0.3953  0.8598  0.5924  1.0
  S  S15  1  0.8634  0.1527  0.3948  1.0
  S  S16  1  0.8666  0.5118  0.5979  1.0
  S  S17  1  0.8667  0.7203  0.2037  1.0
  S  S18  1  0.8838  0.9357  0.8145  1.0
  S  S19  1  0.8953  0.3477  0.9894  1.0
]