data_[Ho4Zr2Tl4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0267]
_cell_length_b [12.1353]
_cell_length_c [8.2180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Zr(TlSe3)2]
_chemical_formula_sum '[Ho4 Zr2 Tl4 Se12]'
_cell_volume [670.2543]
_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  0.3324  0.5000  1.0
  Zr  Zr1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.0000  0.1690  0.0000  1.0
  Se  Se3  8  0.2290  0.1593  0.7005  1.0
  Se  Se4  4  0.2495  0.5000  0.7008  1.0
]