data_[Y6Ho8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [11.4756]
_cell_length_b [11.4780]
_cell_length_c [8.1130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(HoSe2)4]
_chemical_formula_sum '[Y6 Ho8 Se16]'
_cell_volume [755.8798]
_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
[
  Y  Y0  4  0.2500  0.2500  0.5000  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  4  0.2500  0.2500  0.0000  1.0
  Ho  Ho3  2  0.0000  0.0000  0.0000  1.0
  Ho  Ho4  2  0.0000  0.0000  0.5000  1.0
  Se  Se5  4  0.0000  0.2491  0.5000  1.0
  Se  Se6  4  0.0000  0.2528  0.0000  1.0
  Se  Se7  4  0.2480  0.5000  0.0019  1.0
  Se  Se8  4  0.2483  0.5000  0.4946  1.0
]