data_[Sr2Tl2Cu2Cl8]
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/m]
_cell_length_a [6.7982]
_cell_length_b [7.0222]
_cell_length_c [8.8367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTlCuCl4]
_chemical_formula_sum '[Sr2 Tl2 Cu2 Cl8]'
_cell_volume [399.3291]
_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  0.2303  0.2500  0.5553  1.0
  Tl  Tl1  2  0.2617  0.2500  0.0645  1.0
  Cu  Cu2  2  0.2242  0.7500  0.3081  1.0
  Cl  Cl3  4  0.0110  0.5052  0.7194  1.0
  Cl  Cl4  2  0.4223  0.7500  0.1431  1.0
  Cl  Cl5  2  0.4335  0.7500  0.5816  1.0
]