data_[Mn2Ag10S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [15.8096]
_cell_length_b [3.7806]
_cell_length_c [6.4775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnAg5S4]
_chemical_formula_sum '[Mn2 Ag10 S8]'
_cell_volume [370.1476]
_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
[
  Mn  Mn0  2  0.0000  0.5000  0.0000  1
  Ag  Ag1  4  0.1764  0.0000  0.6235  1
  Ag  Ag2  4  0.2025  0.0000  0.0945  1
  Ag  Ag3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0490  0.0000  0.8020  1
  S  S5  4  0.1465  0.5000  0.3035  1
]