data_[Sm2Tl2Au2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [6.5770]
_cell_length_b [5.5985]
_cell_length_c [7.7724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [SmTlAuS2]
_chemical_formula_sum '[Sm2 Tl2 Au2 S4]'
_cell_volume [277.0165]
_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
[
  Sm  Sm0  2  0.0000  0.4965  0.2500  1
  Tl  Tl1  2  0.5000  0.1832  0.2500  1
  Au  Au2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2556  0.3108  0.5562  1
]