data_[Tl2Cu2Rh4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0963]
_cell_length_b [2.9781]
_cell_length_c [4.8065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCuRh2]
_chemical_formula_sum '[Tl2 Cu2 Rh4]'
_cell_volume [127.8375]
_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
[
  Tl  Tl0  2  0.0011  0.5000  0.4961  1
  Cu  Cu1  2  0.2439  0.5000  0.2303  1
  Rh  Rh2  2  0.2560  0.0000  0.7732  1
  Rh  Rh3  2  0.4990  0.5000  0.0004  1
]