data_[Zr4In4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [Pnma]
_cell_length_a [12.3016]
_cell_length_b [3.7025]
_cell_length_c [12.0168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ZrInAgS3]
_chemical_formula_sum '[Zr4 In4 Ag4 S12]'
_cell_volume [547.3286]
_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  4  0.0215  0.7500  0.1474  1
  In  In1  4  0.1772  0.7500  0.5712  1
  Ag  Ag2  4  0.1933  0.2500  0.3871  1
  S  S3  4  0.0023  0.2500  0.2986  1
  S  S4  4  0.0998  0.7500  0.9448  1
  S  S5  4  0.2206  0.7500  0.1987  1
]