data_[Ho6Zr2Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [10.7267]
_cell_length_b [7.0794]
_cell_length_c [5.4465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Ho3ZrTl4]
_chemical_formula_sum '[Ho6 Zr2 Tl8]'
_cell_volume [413.5996]
_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  0.0000  0.0000  1
  Ho  Ho1  2  0.2500  0.0000  0.5680  1
  Ho  Ho2  2  0.2500  0.5000  0.5818  1
  Zr  Zr3  2  0.0000  0.5000  0.0000  1
  Tl  Tl4  4  0.0000  0.2553  0.5000  1
  Tl  Tl5  4  0.2500  0.2558  0.0771  1
]