data_[Er12Tl2Ge4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [C2/m]
_cell_length_a [17.9238]
_cell_length_b [4.0239]
_cell_length_c [8.1864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6TlGe2S3]
_chemical_formula_sum '[Er12 Tl2 Ge4 S6]'
_cell_volume [560.2158]
_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
[
  Er  Er0  4  0.0070  0.0000  0.7261  1.0
  Er  Er1  4  0.1697  0.5000  0.5707  1.0
  Er  Er2  4  0.1745  0.5000  0.0781  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1600  0.0000  0.3154  1.0
  S  S5  4  0.1682  0.0000  0.8235  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]