data_[La12Ho3Tm9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2129]
_cell_length_b [8.2129]
_cell_length_c [21.0591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La4HoTm3Se8]
_chemical_formula_sum '[La12 Ho3 Tm9 Se24]'
_cell_volume [1230.1717]
_cell_formula_units_Z [3]
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
[
  La  La0  9  0.0000  0.5000  0.5000  1
  La  La1  3  -0.0000  -0.0000  0.5000  1
  Ho  Ho2  3  -0.0000  -0.0000  0.0000  1
  Tm  Tm3  9  0.0000  0.5000  0.0000  1
  Se  Se4  18  0.0019  0.5010  0.2581  1
  Se  Se5  6  0.0000  0.0000  0.2585  1
]