data_[Mn9Ag3Sn6S24]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2878]
_cell_length_b [7.2878]
_cell_length_c [19.1473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mn3Ag(SnS4)2]
_chemical_formula_sum '[Mn9 Ag3 Sn6 S24]'
_cell_volume [880.7085]
_cell_formula_units_Z [3]
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  9  0.0095  0.5048  0.0012  1.0
  Ag  Ag1  3  0.0000  0.0000  0.1355  1.0
  Sn  Sn2  3  0.0000  0.0000  0.4954  1.0
  Sn  Sn3  3  0.0000  0.0000  0.8691  1.0
  S  S4  9  0.0299  0.5150  0.2648  1.0
  S  S5  9  0.1776  0.3552  0.0721  1.0
  S  S6  3  0.0000  0.0000  0.2649  1.0
  S  S7  3  0.0000  0.0000  0.7280  1.0
]