data_[Cr2Ag2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [6.0352]
_cell_length_b [3.5403]
_cell_length_c [7.1741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrAgS2]
_chemical_formula_sum '[Cr2 Ag2 S4]'
_cell_volume [146.9056]
_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
[
  Cr  Cr0  1  0.5065  0.0000  0.0006  1.0
  Cr  Cr1  1  0.9942  0.5000  0.9996  1.0
  Ag  Ag2  1  0.3441  0.0000  0.5367  1.0
  Ag  Ag3  1  0.8495  0.5000  0.5413  1.0
  S  S4  1  0.2262  0.0000  0.1800  1.0
  S  S5  1  0.2707  0.5000  0.8087  1.0
  S  S6  1  0.7277  0.5000  0.1881  1.0
  S  S7  1  0.7672  0.0000  0.7994  1.0
]