data_[Tl1Cu2Rh1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1255]
_cell_length_b [6.9438]
_cell_length_c [7.8986]
_cell_angle_alpha [69.6961]
_cell_angle_beta [88.3227]
_cell_angle_gamma [80.6422]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCu2RhCl8]
_chemical_formula_sum '[Tl1 Cu2 Rh1 Cl8]'
_cell_volume [310.7597]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  1  0.0000  0.0000  0.5000  1
  Cu  Cu1  2  0.4972  0.3248  0.6934  1
  Rh  Rh2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.1629  0.1943  0.7294  1
  Cl  Cl4  2  0.1681  0.1654  0.1626  1
  Cl  Cl5  2  0.3104  0.7290  0.0568  1
  Cl  Cl6  2  0.3794  0.6951  0.5762  1
]