data_[La2Ho6Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6341]
_cell_length_b [4.1631]
_cell_length_c [11.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(HoSe2)3]
_chemical_formula_sum '[La2 Ho6 Se12]'
_cell_volume [545.2306]
_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
[
  La  La0  2  0.0492  0.7500  0.6958  1.0
  Ho  Ho1  2  0.1589  0.7500  0.0870  1.0
  Ho  Ho2  2  0.3202  0.2500  0.5004  1.0
  Ho  Ho3  2  0.4423  0.7500  0.8341  1.0
  Se  Se4  2  0.0838  0.2500  0.9072  1.0
  Se  Se5  2  0.1199  0.7500  0.4647  1.0
  Se  Se6  2  0.1980  0.2500  0.2500  1.0
  Se  Se7  2  0.2659  0.2500  0.7287  1.0
  Se  Se8  2  0.3920  0.7500  0.0572  1.0
  Se  Se9  2  0.4805  0.7500  0.6134  1.0
]