data_[Mn4Tl4Au4S8]
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
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.2962]
_cell_length_b [13.4352]
_cell_length_c [5.7751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [MnTlAuS2]
_chemical_formula_sum '[Mn4 Tl4 Au4 S8]'
_cell_volume [488.5168]
_cell_formula_units_Z [4]
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  0.2500  0.0000  0.5000  1.0
  Tl  Tl1  4  0.0000  0.2500  0.7831  1.0
  Au  Au2  4  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.0000  0.1140  0.3083  1.0
]