data_[Rb6Tl8Cu2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2/m]
_cell_length_a [16.0272]
_cell_length_b [9.0251]
_cell_length_c [9.0575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Tl4CuCl8]
_chemical_formula_sum '[Rb6 Tl8 Cu2 Cl16]'
_cell_volume [1091.8343]
_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
[
  Rb  Rb0  4  0.2500  0.2500  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Tl  Tl2  4  0.2500  0.2500  0.0000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  2  0.0000  0.5000  0.0000  1
  Cu  Cu5  2  0.0000  0.0000  0.5000  1
  Cl  Cl6  8  0.0016  0.1948  0.7001  1
  Cl  Cl7  4  0.2240  0.5000  0.2217  1
  Cl  Cl8  4  0.2492  0.0000  0.2458  1
]