data_[Y6Ho12Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.8637]
_cell_length_b [3.5689]
_cell_length_c [14.3731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3Ho6Tl]
_chemical_formula_sum '[Y6 Ho12 Tl2]'
_cell_volume [627.6175]
_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
[
  Y  Y0  2  0.0314  0.7500  0.9071  1.0
  Y  Y1  2  0.1246  0.7500  0.5032  1.0
  Y  Y2  2  0.4902  0.7500  0.1022  1.0
  Ho  Ho3  2  0.1145  0.2500  0.7104  1.0
  Ho  Ho4  2  0.1647  0.7500  0.2822  1.0
  Ho  Ho5  2  0.2455  0.2500  0.1039  1.0
  Ho  Ho6  2  0.2819  0.7500  0.8986  1.0
  Ho  Ho7  2  0.3553  0.7500  0.6921  1.0
  Ho  Ho8  2  0.3615  0.2500  0.4767  1.0
  Tl  Tl9  2  0.4245  0.7500  0.3046  1.0
]