data_[Ho2Tl4Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [13.7592]
_cell_length_b [7.0569]
_cell_length_c [6.5320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoTl2CuCl6]
_chemical_formula_sum '[Ho2 Tl4 Cu2 Cl12]'
_cell_volume [592.7677]
_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
[
  Ho  Ho0  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  4  0.2358  0.0000  0.1994  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.0616  0.2386  0.7812  1.0
  Cl  Cl4  4  0.1925  0.5000  0.2776  1.0
]