data_[Mn4Tl4V2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7795]
_cell_length_b [3.2867]
_cell_length_c [8.5944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Tl2VS4]
_chemical_formula_sum '[Mn4 Tl4 V2 S8]'
_cell_volume [353.8426]
_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  0.1737  0.5000  0.9812  1.0
  Tl  Tl1  4  0.1325  0.0000  0.5068  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0253  0.5000  0.8055  1.0
  S  S4  4  0.1908  0.0000  0.1529  1.0
]