data_[Ho2Tl2Cr2Cl12]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9634]
_cell_length_b [11.3426]
_cell_length_c [7.1949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HoTlCrCl6]
_chemical_formula_sum '[Ho2 Tl2 Cr2 Cl12]'
_cell_volume [567.4874]
_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  0.6764  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0016  0.5000  1.0
  Cr  Cr2  2  0.0000  0.3357  0.0000  1.0
  Cl  Cl3  4  0.1247  0.4891  0.2024  1.0
  Cl  Cl4  4  0.1756  0.1891  0.1837  1.0
  Cl  Cl5  4  0.1791  0.8148  0.2357  1.0
]