data_[Mg1Tl6Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4637]
_cell_length_b [7.3849]
_cell_length_c [12.8065]
_cell_angle_alpha [78.4534]
_cell_angle_beta [88.3654]
_cell_angle_gamma [71.7649]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgTl6(SbS4)2]
_chemical_formula_sum '[Mg1 Tl6 Sb2 S8]'
_cell_volume [568.4713]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.1148  0.3887  0.9116  1.0
  Tl  Tl1  1  0.0448  0.9675  0.6096  1.0
  Tl  Tl2  1  0.4688  0.5205  0.0526  1.0
  Tl  Tl3  1  0.4736  0.4141  0.4354  1.0
  Tl  Tl4  1  0.6196  0.7185  0.8003  1.0
  Tl  Tl5  1  0.7654  0.7848  0.2313  1.0
  Tl  Tl6  1  0.9837  0.9798  0.9585  1.0
  Sb  Sb7  1  0.1648  0.2029  0.2547  1.0
  Sb  Sb8  1  0.3682  0.3060  0.7116  1.0
  S  S9  1  0.1292  0.7085  0.8300  1.0
  S  S10  1  0.1821  0.8765  0.2740  1.0
  S  S11  1  0.4888  0.1606  0.9020  1.0
  S  S12  1  0.5160  0.0362  0.6182  1.0
  S  S13  1  0.5292  0.2147  0.2520  1.0
  S  S14  1  0.9849  0.4237  0.0925  1.0
  S  S15  1  0.9905  0.2936  0.7519  1.0
  S  S16  1  0.9926  0.3666  0.3891  1.0
]