data_[Ho4Mg2Tl6Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1877]
_cell_length_b [12.4575]
_cell_length_c [7.8804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Mg(TlSe2)3]
_chemical_formula_sum '[Ho4 Mg2 Tl6 Se12]'
_cell_volume [672.2220]
_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  0.3337  0.0000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1686  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2318  0.1639  0.2046  1.0
  Se  Se5  4  0.2410  0.5000  0.2056  1.0
]