data_[Zr4Cr2Ag4S12]
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 [C2/m]
_cell_length_a [6.1980]
_cell_length_b [10.8661]
_cell_length_c [7.6473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Cr(AgS3)2]
_chemical_formula_sum '[Zr4 Cr2 Ag4 S12]'
_cell_volume [510.4950]
_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
[
  Zr  Zr0  4  0.0000  0.3400  0.5000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.0000  0.1431  0.0000  1.0
  S  S3  8  0.1220  0.8427  0.3101  1.0
  S  S4  4  0.1540  0.5000  0.3075  1.0
]