data_[Ho6Mg4Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1655]
_cell_length_b [4.9111]
_cell_length_c [20.5708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ho3Mg2Tl3]
_chemical_formula_sum '[Ho6 Mg4 Tl6]'
_cell_volume [420.8150]
_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  4  0.0000  0.0000  0.3762  1
  Ho  Ho1  2  0.0000  0.5000  0.5000  1
  Mg  Mg2  4  0.0000  0.5000  0.2507  1
  Tl  Tl3  4  0.0000  0.0000  0.1391  1
  Tl  Tl4  2  0.0000  0.5000  0.0000  1
]