data_[Mg2Tl4Ge2S8]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7401]
_cell_length_b [9.4622]
_cell_length_c [6.3913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MgTl2GeS4]
_chemical_formula_sum '[Mg2 Tl4 Ge2 S8]'
_cell_volume [468.0879]
_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
[
  Mg  Mg0  2  0.0000  0.1110  0.5013  1.0
  Tl  Tl1  4  0.2324  0.3368  0.0461  1.0
  Ge  Ge2  2  0.0000  0.8635  0.9920  1.0
  S  S3  4  0.2379  0.7411  0.0812  1.0
  S  S4  2  0.0000  0.0855  0.1132  1.0
  S  S5  2  0.0000  0.8700  0.6389  1.0
]