data_[Er2Tl2Au2S4]
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
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.8636]
_cell_length_b [5.5102]
_cell_length_c [7.3379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [ErTlAuS2]
_chemical_formula_sum '[Er2 Tl2 Au2 S4]'
_cell_volume [267.9746]
_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  2  0.0000  0.4991  0.2500  1
  Tl  Tl1  2  0.5000  0.1918  0.2500  1
  Au  Au2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2468  0.3209  0.5608  1
]