data_[Ta2Mn6Ag6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [12.5634]
_cell_length_b [6.9136]
_cell_length_c [8.2214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaMn3Ag3S8]
_chemical_formula_sum '[Ta2 Mn6 Ag6 S16]'
_cell_volume [574.5445]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.2500  0.2500  0.5000  1.0
  Mn  Mn2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  4  0.2500  0.2500  0.0000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.0000  1.0
  S  S5  8  0.0043  0.2559  0.7136  1.0
  S  S6  4  0.2429  0.0000  0.2884  1.0
  S  S7  4  0.2463  0.0000  0.7024  1.0
]