data_[Li4Y2Ho6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [6.9736]
_cell_length_b [12.0743]
_cell_length_c [6.9885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Y(HoSe2)3]
_chemical_formula_sum '[Li4 Y2 Ho6 Se12]'
_cell_volume [554.8441]
_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
[
  Li  Li0  4  0.0000  0.3321  0.0000  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Ho  Ho2  4  0.0000  0.1658  0.5000  1
  Ho  Ho3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2489  0.3302  0.7559  1
  Se  Se5  4  0.2417  0.5000  0.2443  1
]