data_[Mn4Ag4As2S12]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1816]
_cell_length_b [10.5716]
_cell_length_c [6.6600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Ag2AsS6]
_chemical_formula_sum '[Mn4 Ag4 As2 S12]'
_cell_volume [426.4368]
_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  4  0.0000  0.3341  0.5000  1.0
  Ag  Ag1  4  0.0000  0.1443  0.0000  1.0
  As  As2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2082  0.1757  0.7106  1.0
  S  S4  4  0.1959  0.5000  0.7041  1.0
]