data_[Zr2Tl4Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9227]
_cell_length_b [3.8027]
_cell_length_c [7.7624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrTl2(CuS2)2]
_chemical_formula_sum '[Zr2 Tl4 Cu4 S8]'
_cell_volume [389.7308]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.1406  0.0000  0.5759  1
  Cu  Cu2  4  0.1781  0.5000  0.9845  1
  S  S3  4  0.0170  0.5000  0.7796  1
  S  S4  4  0.1949  0.0000  0.1722  1
]