data_[K4Mn4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.9594]
_cell_length_b [3.6482]
_cell_length_c [10.0443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KMnAgS3]
_chemical_formula_sum '[K4 Mn4 Ag4 S12]'
_cell_volume [511.5235]
_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
[
  K  K0  4  0.1355  0.7500  0.5046  1
  Mn  Mn1  4  0.0444  0.2500  0.1395  1
  Ag  Ag2  4  0.1941  0.2500  0.7715  1
  S  S3  4  0.0219  0.2500  0.7298  1
  S  S4  4  0.0935  0.7500  0.0002  1
  S  S5  4  0.1848  0.2500  0.2571  1
]