data_[La6Ho2Se12]
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/c]
_cell_length_a [7.1370]
_cell_length_b [7.8405]
_cell_length_c [12.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3HoSe6]
_chemical_formula_sum '[La6 Ho2 Se12]'
_cell_volume [599.0703]
_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  4  0.2048  0.0982  0.7459  1.0
  La  La1  2  0.5000  0.0000  0.5000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0908  0.1895  0.4230  1.0
  Se  Se4  4  0.2374  0.6806  0.4200  1.0
  Se  Se5  4  0.3959  0.0609  0.2409  1.0
]