data_[Zr4Cr4Ag4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.6122]
_cell_length_b [11.3895]
_cell_length_c [13.1801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [ZrCrAgS4]
_chemical_formula_sum '[Zr4 Cr4 Ag4 S16]'
_cell_volume [542.2442]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  2  0.0000  0.7983  0.1154  1
  Zr  Zr1  2  0.0000  0.8197  0.5842  1
  Cr  Cr2  2  0.0000  0.3069  0.3915  1
  Cr  Cr3  2  0.0000  0.3466  0.9059  1
  Ag  Ag4  2  0.0000  0.0053  0.3241  1
  Ag  Ag5  2  0.0000  0.4845  0.1988  1
  S  S6  2  0.0000  0.0443  0.6591  1
  S  S7  2  0.0000  0.1368  0.9516  1
  S  S8  2  0.0000  0.2298  0.2137  1
  S  S9  2  0.0000  0.3476  0.5672  1
  S  S10  2  0.0000  0.5560  0.8541  1
  S  S11  2  0.0000  0.6137  0.5215  1
  S  S12  2  0.0000  0.6948  0.2894  1
  S  S13  2  0.0000  0.8355  0.9234  1
]