data_[Sr2Tl4Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0612]
_cell_length_b [7.1775]
_cell_length_c [15.8379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrTl2CuCl6]
_chemical_formula_sum '[Sr2 Tl4 Cu2 Cl12]'
_cell_volume [640.5643]
_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
[
  Sr  Sr0  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.3143  0.5873  0.7506  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1933  0.2321  0.0656  1.0
  Cl  Cl4  4  0.2201  0.5154  0.3086  1.0
  Cl  Cl5  4  0.3386  0.6670  0.0726  1.0
]