data_[Tb4Y6Ho2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0914]
_cell_length_b [12.2608]
_cell_length_c [7.0897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Y3HoSe6]
_chemical_formula_sum '[Tb4 Y6 Ho2 Se12]'
_cell_volume [579.9139]
_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
[
  Tb  Tb0  4  0.0000  0.3331  0.0000  1.0
  Y  Y1  4  0.0000  0.1686  0.5000  1.0
  Y  Y2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2484  0.1653  0.2491  1.0
  Se  Se5  4  0.2472  0.0000  0.7493  1.0
]